dibutyl(methyl)amine

• ChemBase ID: 10741
• Molecular Formular: C9H21N
• Molecular Mass: 143.26974
• Monoisotopic Mass: 143.16739968
• SMILES: N(C)(CCCC)CCCC
• Canonical SMILES: CCCCN(CCCC)C
• InChI: InChI=1S/C9H21N/c1-4-6-8-10(3)9-7-5-2/h4-9H2,1-3H3
• InChIKey: MTHFROHDIWGWFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dibutyl(methyl)amine
• IUPAC Traditional name: dibutyl(methyl)amine
• Synonyms: N-Methyldi-n-butylamine; N-Methyldibutylamine; N-甲基二丁胺

Database IDs

• CAS Number: 3405-45-6
• EC Number: 222-288-9
• MDL Number: MFCD00009430
• PubChem SID: 160974048; 24858650
• PubChem CID: 18855

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.6405667
• LogD (pH = 7.4): 0.059801485
• Log P: 2.8379674
• Molar Refractivity: 47.7353 cm^3
• Polarizability: 18.883202 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 49-51 °C/10 mmHg(lit.); 49-51°C/10mm
• Flash Point: 107.6 °F; 42 °C
• Density: 0.745; 0.745 g/mL at 25 °C(lit.)
• Refractive Index: 1.4178; n20/D 1.4178(lit.)

Safety Information

• Storage Warning: FLAMMABLE, CORROSIVE
• RTECS: HR8225000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2734
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-20/21/22-34
• Safety Statements: 16-26-27-36/37/39-45
• TSCA Listed: true
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H311-H314-H332
• 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: 98%
• Linear Formula: [CH3(CH2)3]2NCH3

DETAILS

Sigma Aldrich - 308129

Packaging
5 g in glass bottle