bis(decyl)(methyl)amine

• ChemBase ID: 152493
• Molecular Formular: C21H45N
• Molecular Mass: 311.5887
• Monoisotopic Mass: 311.35520045
• SMILES: CCCCCCCCCCN(C)CCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCN(CCCCCCCCCC)C
• InChI: InChI=1S/C21H45N/c1-4-6-8-10-12-14-16-18-20-22(3)21-19-17-15-13-11-9-7-5-2/h4-21H2,1-3H3
• InChIKey: ATBNMWWDBWBAHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(decyl)(methyl)amine
• IUPAC Traditional name: bis(decyl)(methyl)amine
• Synonyms: DAMA-10; Didecylmethylamine; N-Methyldidecylamine; 二癸基甲胺; N-甲基二癸基胺

Database IDs

• CAS Number: 7396-58-9
• EC Number: 230-990-1
• MDL Number: MFCD00077727
• Beilstein Number: 1765810
• PubChem SID: 24862767; 162246638
• PubChem CID: 81880

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.694299
• LogD (pH = 7.4): 5.39529
• Log P: 8.1727915
• Molar Refractivity: 102.9473 cm^3
• Polarizability: 41.047688 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 199.4 °F; 93 °C
• Density: 0.807 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.448

Safety Information

• UN Number: 2735
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 3
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 3

Product Information

• Purity: ~90% (GC)
• Grade: technical
• Impurities: ≤0.5% water
• Linear Formula: [CH3(CH2)9]2NCH3

DETAILS

Sigma Aldrich - 36755

Packaging
1 L in glass bottle