diethyl[2-(methylamino)ethyl]amine

• ChemBase ID: 108080
• Molecular Formular: C7H18N2
• Molecular Mass: 130.23122
• Monoisotopic Mass: 130.14699859
• SMILES: CCN(CC)CCNC
• Canonical SMILES: CNCCN(CC)CC
• InChI: InChI=1S/C7H18N2/c1-4-9(5-2)7-6-8-3/h8H,4-7H2,1-3H3
• InChIKey: MKDYQLJYEBWUIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl[2-(methylamino)ethyl]amine
• IUPAC Traditional name: diethyl[2-(methylamino)ethyl]amine
• Synonyms: N,N-DIETHYL-N'-METHYLETHYLENEDIAMINE; N,N-Diethyl-N′-methylethylenediamine; N1,N1-Diethyl-N2-methylethane-1,2-diamine; N,N-二乙基-N′-甲基乙二胺

Database IDs

• CAS Number: 104-79-0
• EC Number: 203-238-5
• MDL Number: MFCD00009053
• PubChem SID: 24858647; 162095069
• PubChem CID: 66034

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.2331796
• LogD (pH = 7.4): -2.1333833
• Log P: 0.539382
• Molar Refractivity: 42.2097 cm^3
• Polarizability: 16.705751 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 157-160 °C(lit.)
• Flash Point: 105.8 °F; 41 °C
• Density: 0.805 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4296(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2734
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-34
• Safety Statements: 16-26-27-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314
• GHS Precautionary statements: 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: 95+%; 97%
• Linear Formula: (C2H5)2NCH2CH2NHCH3

DETAILS

MP Biomedicals - 05206011

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 308099

Packaging
5, 25 g in glass bottle