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75-50-3 molecular structure
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trimethylamine

ChemBase ID: 130004
Molecular Formular: C3H9N
Molecular Mass: 59.11026
Monoisotopic Mass: 59.07349929
SMILES and InChIs

SMILES:
CN(C)C
Canonical SMILES:
CN(C)C
InChI:
InChI=1S/C3H9N/c1-4(2)3/h1-3H3
InChIKey:
GETQZCLCWQTVFV-UHFFFAOYSA-N

Cite this record

CBID:130004 http://www.chembase.cn/molecule-130004.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trimethylamine
IUPAC Traditional name
trimethylamine
Synonyms
Trimethylamine solution
Trimethylamine
Trimethylamine
三甲胺 溶液
三甲基胺
三甲胺
CAS Number
75-50-3
EC Number
200-875-0
MDL Number
MFCD00008327
Beilstein Number
956566
Merck Index
149710
PubChem SID
162224290
24866708
24889325
24902118
24854605
24901579
24889324
24889326
PubChem CID
1146
CHEBI ID
18139
CHEMBL
439723
Chemspider ID
1114
FEMA ID
3241
KEGG ID
C00565
Unique Ingredient Identifier
LHH7G8O305
Wikipedia Title
Trimethylamine
Council of Europe Number
10497
Flavis Number
11.009

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.208248  LogD (pH = 7.4) -1.966536 
Log P 0.19016947  Molar Refractivity 19.9881 cm3
Polarizability 7.800994 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Miscible in water expand Show data source
Apperance
Colorless gas expand Show data source
cylinder expand Show data source
Liquid expand Show data source
Melting Point
-117 °C(lit.) expand Show data source
-117.20°C (155.95K) expand Show data source
-2°C expand Show data source
Boiling Point
2.85000000000002 - -273.15°C (276 - 0 K) expand Show data source
30°C expand Show data source
3-4 °C(lit.) expand Show data source
Flash Point
<-16 °C expand Show data source
<3.2 °F expand Show data source
19.4 °F expand Show data source
-20 °C expand Show data source
-20°C(-4°F) expand Show data source
3 °C expand Show data source
37.4 °F expand Show data source
-4 °F expand Show data source
-45 °C expand Show data source
-49 °F expand Show data source
-7 °C expand Show data source
Auto Ignition Point
190 °C expand Show data source
374 °F expand Show data source
Density
0.63 g/mL at 20 °C(lit.) expand Show data source
0.83-0.88 g/mL at 20 °C expand Show data source
670 mg mL-1 (at 0 °C) expand Show data source
Refractive Index
n20/D 1.356 expand Show data source
n20/D 1.357 expand Show data source
Vapor Pressure
13.3 psi ( 21 °C) expand Show data source
430 mmHg ( 25 °C) expand Show data source
91.74 kPa (at 21 °C) expand Show data source
Vapor Density
2.04 (vs air) expand Show data source
2.09 (vs air) expand Show data source
Partition Coefficient
0.119 expand Show data source
Henry Constant
95 μmol Pa-1 kg-1 expand Show data source
Odor
Fishy, ammoniacal expand Show data source
Std enthalpy of formation
-24.5–-23.0 kJ mol-1 expand Show data source
Organoleptic
fishy expand Show data source
oily; meaty; fishy expand Show data source
RTECS
PA0350000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
Highly flammable Highly flammable (F+) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1083 expand Show data source
1297 expand Show data source
2924 expand Show data source
UN1297 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
2.1 expand Show data source
3 expand Show data source
Packing Group
2 expand Show data source
I expand Show data source
Risk Statements
11-20/22-34 expand Show data source
11-20-37/38-41 expand Show data source
12-20/22-34 expand Show data source
12-20-37/38-41 expand Show data source
r12, r20, r37/38, r41 expand Show data source
Safety Statements
16-26-36/37/39-45 expand Show data source
16-26-39 expand Show data source
26-36/37/39-45 expand Show data source
s2, s16, s26, s29 expand Show data source
TSCA Listed
expand Show data source
EU Index
612-001-00-9 expand Show data source
GHS Pictograms
GHS corrosion expand Show data source
GHS exclamation mark expand Show data source
GHS flame expand Show data source
GHS02 expand Show data source
GHS04 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
DANGER expand Show data source
Danger expand Show data source
NFPA704
NFPA 704 diagram
4
2
0
expand Show data source
LD50
500 mg kg-1 (oral, rat) expand Show data source
Explode Limits
11.6 % expand Show data source
2–11.6% expand Show data source
GHS Hazard statements
220, 315, 318, 332, 335 expand Show data source
H220-H280-H315-H318-H332-H335 expand Show data source
H224-H302-H314-H335 expand Show data source
H224-H314-H318-H332-H335 expand Show data source
H225-H302-H314-H335 expand Show data source
H225-H315-H318-H335 expand Show data source
GHS Precautionary statements
210, 261, 280, 305+351+338 expand Show data source
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P210-P261-P280-P305 + P351 + P338 expand Show data source
P210-P261-P280-P305 + P351 + P338-P310 expand Show data source
P210-P261-P280-P305 + P351 + P338-P410 + P403 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US) expand Show data source
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Eyeshields, Faceshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1083 2.1 expand Show data source
UN 1297 3/PG 2 expand Show data source
UN 2924 3/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥99% expand Show data source
≥99.0% expand Show data source
45% w/w aq. soln. expand Show data source
99% expand Show data source
Concentration
~45 wt. % in H2O (T) expand Show data source
25 wt. % in H2O expand Show data source
25 wt. % in propylene glycol expand Show data source
31-35 wt. % in ethanol expand Show data source
4.2 M expand Show data source
45 wt. % in H2O expand Show data source
Grade
anhydrous expand Show data source
Kosher expand Show data source
NI expand Show data source
purum expand Show data source
Impurities
≤0.05% ammonia expand Show data source
≤0.05% methylamine expand Show data source
≤0.2% dimethylamine expand Show data source
Contains
toluene as stabilizer expand Show data source
Linear Formula
(CH3)3N expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 243205 external link
Packaging
100, 400 g in Sure-Pac™
Recommended products
Stainless steel needle valve Z146056 and hose adapter Z146838 is recommended.
Sigma Aldrich - 426474 external link
Packaging
1, 2 L in glass bottle
500 mL in glass bottle
Sigma Aldrich - 92251 external link
Other Notes
Sales restrictions may apply
Packaging
pressure tin with 250 mL (net ~155 g)
Sigma Aldrich - W324108 external link
Packaging
1 kg in glass bottle
1 sample in glass bottle
5, 10, 20 kg in comp drum
Sigma Aldrich - W550132 external link
Packaging
1 kg in glass bottle
Sigma Aldrich - 92260 external link
Packaging
1 L in glass bottle
250 mL in glass bottle
5 L in comp drum
Sigma Aldrich - 92262 external link
Packaging
1 L in glass bottle
500 mL in glass bottle
Sigma Aldrich - 702846 external link
Packaging
100, 400 g in Sure-Pac™
Sigma Aldrich - 92256 external link
Other Notes
Sales restrictions may apply
Packaging
Cylinder with net ~15 kg
Sigma Aldrich - 92250 external link
Other Notes
Sales restrictions may apply
Packaging
pressure tin with 100 mL (net ~63 g)
Sigma Aldrich - 92252 external link
Other Notes
Sales restrictions may apply
Packaging
Cylinder with net ~1.1 kg

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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