dihexyl(methyl)amine

• ChemBase ID: 146905
• Molecular Formular: C13H29N
• Molecular Mass: 199.37606
• Monoisotopic Mass: 199.22999993
• SMILES: CCCCCCN(C)CCCCCC
• Canonical SMILES: CCCCCCN(CCCCCC)C
• InChI: InChI=1S/C13H29N/c1-4-6-8-10-12-14(3)13-11-9-7-5-2/h4-13H2,1-3H3
• InChIKey: POMGZMHIXYRARC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dihexyl(methyl)amine
• IUPAC Traditional name: dihexyl(methyl)amine
• Synonyms: N-Methyldihexylamine; N-甲基二己胺

Database IDs

• CAS Number: 37615-53-5
• MDL Number: MFCD00027293
• PubChem SID: 162241097; 24869781
• PubChem CID: 4426313

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.13775
• LogD (pH = 7.4): 1.8387407
• Log P: 4.616242
• Molar Refractivity: 66.1393 cm^3
• Polarizability: 26.27136 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 146 °C/48 mmHg(lit.)
• Flash Point: 192.2 °F; 89 °C
• Density: 0.775 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.433(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-27-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: 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 2735 8/PG 2

Product Information

• Purity: ≥97%
• Linear Formula: [CH3(CH2)5]2NCH3

DETAILS

Sigma Aldrich - 460966

Packaging
5 mL in glass bottle