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142-25-6 molecular structure
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[2-(dimethylamino)ethyl](methyl)amine

ChemBase ID: 111476
Molecular Formular: C5H14N2
Molecular Mass: 102.17806
Monoisotopic Mass: 102.11569846
SMILES and InChIs

SMILES:
CNCCN(C)C
Canonical SMILES:
CNCCN(C)C
InChI:
InChI=1S/C5H14N2/c1-6-4-5-7(2)3/h6H,4-5H2,1-3H3
InChIKey:
HVOYZOQVDYHUPF-UHFFFAOYSA-N

Cite this record

CBID:111476 http://www.chembase.cn/molecule-111476.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(dimethylamino)ethyl](methyl)amine
IUPAC Traditional name
[2-(dimethylamino)ethyl](methyl)amine
Synonyms
N,N,N'-TRIMETHYLETHYLENEDIAMINE
N,N,N′-Trimethylethylenediamine
[2-(dimethylamino)ethyl](methyl)amine
N,N,N'-Trimethylethylenediamine
N,N,N-Trimethylethylenediamine
N1,N1,N2-Trimethylethane-1,2-diamine
N,N,N′-三甲基乙二胺
N,N,N'-三甲基乙二胺
CAS Number
142-25-6
EC Number
205-529-2
MDL Number
MFCD00014874
Beilstein Number
505989
PubChem SID
24889322
24847763
162103317
PubChem CID
67338

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.464481  LogD (pH = 7.4) -2.7077408 
Log P -0.17423394  Molar Refractivity 32.7125 cm3
Polarizability 13.012255 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Liquid expand Show data source
Melting Point
116 - 118°C expand Show data source
Boiling Point
116°C expand Show data source
116-118 °C(lit.) expand Show data source
116-118°C expand Show data source
Flash Point
14 °C expand Show data source
57.2 °F expand Show data source
9°C(49°F) expand Show data source
Density
0.786 g/mL at 25 °C(lit.) expand Show data source
0.804 expand Show data source
0.804 g/ml expand Show data source
Refractive Index
1.4190 expand Show data source
n20/D 1.419 expand Show data source
n20/D 1.419(lit.) expand Show data source
Hydrophobicity(logP)
-0.019 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
2733 expand Show data source
UN2733 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
11-34 expand Show data source
11-34-37 expand Show data source
R:10-34 expand Show data source
Safety Statements
16-26-36/37/39-45 expand Show data source
24/25-36/37/39 expand Show data source
S:16-26-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H314 expand Show data source
H225-H314-H318 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P210-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
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 2733 3/PG 2 expand Show data source
Purity
≥97.0% (GC) expand Show data source
95% expand Show data source
97% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
≤1% water expand Show data source
Linear Formula
(CH3)2NCH2CH2NHCH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 127124 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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