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110-70-3 molecular structure
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methyl[2-(methylamino)ethyl]amine

ChemBase ID: 67625
Molecular Formular: C4H12N2
Molecular Mass: 88.15148
Monoisotopic Mass: 88.10004839
SMILES and InChIs

SMILES:
C(CNC)NC
Canonical SMILES:
CNCCNC
InChI:
InChI=1S/C4H12N2/c1-5-3-4-6-2/h5-6H,3-4H2,1-2H3
InChIKey:
KVKFRMCSXWQSNT-UHFFFAOYSA-N

Cite this record

CBID:67625 http://www.chembase.cn/molecule-67625.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl[2-(methylamino)ethyl]amine
IUPAC Traditional name
methyl[2-(methylamino)ethyl]amine
Synonyms
N,N'-Dimethylethylenediamine
N,N'-Dimethylethylenediamine
1,2-Bis(methylamino)ethane
N,N′-Dimethylethylenediamine
N,N'-二甲基乙二胺
1,2-双(甲氨基)乙烷
N,N′-二甲基乙二胺
CAS Number
110-70-3
EC Number
203-793-3
MDL Number
MFCD00008290
Beilstein Number
878142
PubChem SID
162033360
24893484
24856188
PubChem CID
8070

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.1817555  LogD (pH = 7.4) -3.064366 
Log P -0.5572819  Molar Refractivity 27.4178 cm3
Polarizability 11.1656475 Å3 Polar Surface Area 24.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
118-119°C expand Show data source
119 °C(lit.) expand Show data source
Flash Point
26 °C expand Show data source
28°C(82°F) expand Show data source
78.8 °F expand Show data source
Density
0.818 expand Show data source
0.819 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
1.4300 expand Show data source
n20/D 1.431(lit.) expand Show data source
Storage Warning
Air Sensitive expand Show data source
IRRITANT expand Show data source
RTECS
KV4250000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2734 expand Show data source
UN2734 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
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
10-34 expand Show data source
Safety Statements
20-23-26-36/37/39-45-60 expand Show data source
26-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
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
H226-H314 expand Show data source
H314-H318-H226 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
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 2734 8/PG 2 expand Show data source
Purity
85% expand Show data source
95% expand Show data source
95+% expand Show data source
99% expand Show data source
Linear Formula
CH3NHCH2CH2NHCH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 270032 external link
Other Notes
remainder N-Methylethylenediamine
Packaging
25, 100 g in glass bottle
Sigma Aldrich - D157805 external link
Packaging
5, 25, 100 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Reagent for protection of aldehyde groups as 2-substituted-1,3-dimethylimidazolidines, e.g. by azeotropic dehydration with benzene. The derivatives are stable to n-BuLi and LDA, and can be cleaved by acid hydrolysis, or in high yield by quaternization with MeI and mild hydrolysis: Tetrahedron, 41, 3803 (1985). With aromatic aldehydes, the imidazolidine derivatives are activated to ortho-lithiation, providing a route to o-substituted benzaldehydes: J. Org. Chem., 44, 2004 (1979).
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PATENTS

PATENTS

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INTERNET

INTERNET

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