hexyl(methyl)amine

• ChemBase ID: 10744
• Molecular Formular: C7H17N
• Molecular Mass: 115.21658
• Monoisotopic Mass: 115.13609955
• SMILES: CNCCCCCC
• Canonical SMILES: CCCCCCNC
• InChI: InChI=1S/C7H17N/c1-3-4-5-6-7-8-2/h8H,3-7H2,1-2H3
• InChIKey: XJINZNWPEQMMBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexyl(methyl)amine
• IUPAC Traditional name: hexylamine, N-methyl-
• Synonyms: N-Methylhexylamine; N-Hexylmethylamine; N-Methylhexylamine; N-甲基己胺; N-己基甲胺

Database IDs

• CAS Number: 35161-70-7
• EC Number: 252-410-6
• MDL Number: MFCD00042908
• Beilstein Number: 1731685
• PubChem SID: 160974051; 24862068; 24877858
• PubChem CID: 37079

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2150784
• LogD (pH = 7.4): -0.86970264
• Log P: 2.0201578
• Molar Refractivity: 37.769 cm^3
• Polarizability: 15.189125 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 140°C-142°C; 140-142 °C(lit.)
• Flash Point: 23 °C; 31 °C; 73.4 °F; 87.8 °F
• Density: 0.76 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.416(lit.)

Safety Information

• Storage Warning: CORROSIVE
• RTECS: MQ5400000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2734
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-22-34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-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 2734 8/PG 2

Product Information

• Purity: ≥97.0% (GC); 96%; 97%
• Grade: purum
• Linear Formula: CH3NH(CH2)5CH3

DETAILS

Sigma Aldrich - 359327

Packaging
10 mL in glass bottle