[3-(dimethylamino)propyl](methyl)amine

• ChemBase ID: 150891
• Molecular Formular: C6H16N2
• Molecular Mass: 116.20464
• Monoisotopic Mass: 116.13134852
• SMILES: CNCCCN(C)C
• Canonical SMILES: CNCCCN(C)C
• InChI: InChI=1S/C6H16N2/c1-7-5-4-6-8(2)3/h7H,4-6H2,1-3H3
• InChIKey: SORARJZLMNRBAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(dimethylamino)propyl](methyl)amine
• IUPAC Traditional name: [3-(dimethylamino)propyl](methyl)amine
• Synonyms: N,N,N′-Trimethyl-1,3-propanediamine; N,N,N'-Trimethyl-1,3-propanediamine; [3-(dimethylamino)propyl](methyl)amine; N,N,N′-三甲基-1,3-丙二胺; N,N,N'-三甲基-1,3-丙二胺

Database IDs

• CAS Number: 4543-96-8
• EC Number: 224-901-5
• MDL Number: MFCD00014879
• PubChem SID: 24859908; 162245051
• PubChem CID: 78302

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.823148
• LogD (pH = 7.4): -3.698286
• Log P: -0.11427421
• Molar Refractivity: 37.5779 cm^3
• Polarizability: 14.858968 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 140-142 °C(lit.); 140-142°C
• Flash Point: 34 °C; 34°C(94°F); 93.2 °F
• Density: 0.793; 0.793 g/mL at 25 °C(lit.)
• Refractive Index: 1.4283; n20/D 1.4283(lit.)
• Hydrophobicity(logP): 0.239

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 2734; UN2734
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 10-20/21/22-34; 10-34
• Safety Statements: 16-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H312-H314-H332; 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: 95%; 96%; 97%, stab. with KOH
• Linear Formula: (CH3)2N(CH2)3NHCH3

DETAILS

Sigma Aldrich - 332550

Packaging
5 g in glass bottle