[2-(dimethylamino)ethyl](methyl)amine

• ChemBase ID: 111476
• Molecular Formular: C5H14N2
• Molecular Mass: 102.17806
• Monoisotopic Mass: 102.11569846
• 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

NAMES AND DATABASE IDS

Names

• 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

Database IDs

• CAS Number: 142-25-6
• EC Number: 205-529-2
• MDL Number: MFCD00014874
• Beilstein Number: 505989
• PubChem SID: 24889322; 162103317; 24847763
• PubChem CID: 67338

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.464481
• LogD (pH = 7.4): -2.7077408
• Log P: -0.17423394
• Molar Refractivity: 32.7125 cm^3
• Polarizability: 13.012255 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Melting Point: 116 - 118°C
• Boiling Point: 116°C; 116-118 °C(lit.); 116-118°C
• Flash Point: 14 °C; 57.2 °F; 9°C(49°F)
• Density: 0.786 g/mL at 25 °C(lit.); 0.804; 0.804 g/ml
• Refractive Index: 1.4190; n20/D 1.419; n20/D 1.419(lit.)
• Hydrophobicity(logP): -0.019

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2733; UN2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-34; 11-34-37; R:10-34
• Safety Statements: 16-26-36/37/39-45; 24/25-36/37/39; S:16-26-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314; H225-H314-H318
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-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 2733 3/PG 2

Product Information

• Purity: ≥97.0% (GC); 95%; 97%; 98%
• Grade: purum
• Impurities: ≤1% water
• Linear Formula: (CH3)2NCH2CH2NHCH3

DETAILS

Sigma Aldrich - 127124

Packaging
5, 25 g in glass bottle