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124-22-1 molecular structure
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dodecan-1-amine

ChemBase ID: 90726
Molecular Formular: C12H27N
Molecular Mass: 185.34948
Monoisotopic Mass: 185.21434987
SMILES and InChIs

SMILES:
NCCCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCCN
InChI:
InChI=1S/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3
InChIKey:
JRBPAEWTRLWTQC-UHFFFAOYSA-N

Cite this record

CBID:90726 http://www.chembase.cn/molecule-90726.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dodecan-1-amine
IUPAC Traditional name
N-dodecylamine
Synonyms
Dodecan-1-amine
1-Aminododecane
Laurylamine
Dodecylamine 98%
1-Dodecylamine
dodecan-1-amine
Dodecylamine
n-DODECYLAMINE
1-十二胺
1-氨基十二烷
月桂胺
十二胺
CAS Number
124-22-1
EC Number
204-690-6
MDL Number
MFCD00008154
Beilstein Number
1633576
PubChem SID
24859488
24893662
162077466
PubChem CID
13583

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2310013  LogD (pH = 7.4) 1.6507778 
Log P 4.2549896  Molar Refractivity 60.6004 cm3
Polarizability 24.42432 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
24°C expand Show data source
27-29 °C(lit.) expand Show data source
27-31°C expand Show data source
27-31°C expand Show data source
Boiling Point
247°C expand Show data source
247-249 °C(lit.) expand Show data source
247-249°C expand Show data source
64-66°C/0.05mm expand Show data source
Flash Point
115 °C expand Show data source
115°C expand Show data source
115°C(239°F) expand Show data source
239 °F expand Show data source
Density
0.802 expand Show data source
0.806 expand Show data source
0.806 g/mL at 25 °C(lit.) expand Show data source
Vapor Pressure
64 mmHg ( 170 °C) expand Show data source
Hydrophobicity(logP)
5.155 expand Show data source
Storage Warning
Corrosive/Harmful/Air Sensitive/Store under Argon expand Show data source
RTECS
JR6475000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3259 expand Show data source
UN3259 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
German water hazard class
2 expand Show data source
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
II expand Show data source
Risk Statements
22-34-50 expand Show data source
22-34-50/53 expand Show data source
R:22-34 expand Show data source
Safety Statements
20-26-36/37/39-45-57 expand Show data source
26-36/37/39-45-60-61 expand Show data source
S:26-27/28-36/37/39-46-64 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H314-H410 expand Show data source
H314-H318-H400-H302 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
P273-P280-P305 + P351 + P338-P310-P501 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3259 8/PG 3 expand Show data source
Purity
≥98.0% (GC) expand Show data source
≥99% expand Show data source
≥99.5% (GC) expand Show data source
95% expand Show data source
98% expand Show data source
98+% expand Show data source
Grade
puriss. expand Show data source
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
≤0.5% water expand Show data source
Linear Formula
CH3(CH2)11NH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 325163 external link
Packaging
5 mL in glass bottle
Sigma Aldrich - D222208 external link
Packaging
1 L in glass bottle
100, 500 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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