methyl[2-(methylamino)ethyl]amine

• ChemBase ID: 67625
• Molecular Formular: C4H12N2
• Molecular Mass: 88.15148
• Monoisotopic Mass: 88.10004839
• 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

NAMES AND DATABASE IDS

Names

• 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

Database IDs

• CAS Number: 110-70-3
• EC Number: 203-793-3
• MDL Number: MFCD00008290
• Beilstein Number: 878142
• PubChem SID: 24856188; 162033360; 24893484
• PubChem CID: 8070

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.1817555
• LogD (pH = 7.4): -3.064366
• Log P: -0.5572819
• Molar Refractivity: 27.4178 cm^3
• Polarizability: 11.1656475 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 118-119°C; 119 °C(lit.)
• Flash Point: 26 °C; 28°C(82°F); 78.8 °F
• Density: 0.818; 0.819 g/mL at 20 °C(lit.)
• Refractive Index: 1.4300; n20/D 1.431(lit.)

Safety Information

• Storage Warning: Air Sensitive; IRRITANT
• RTECS: KV4250000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2734; UN2734
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 10-34
• Safety Statements: 20-23-26-36/37/39-45-60; 26-36/37/39-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314; H314-H318-H226
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2734 8/PG 2

Product Information

• Purity: 85%; 95%; 95+%; 99%
• Linear Formula: CH3NHCH2CH2NHCH3

DETAILS

Sigma Aldrich - 270032

Other Notes
remainder N-Methylethylenediamine
Packaging
25, 100 g in glass bottle

Sigma Aldrich - D157805

Packaging
5, 25, 100 g in glass bottle

REFERENCES

• 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).