hexan-1-amine

• ChemBase ID: 89736
• Molecular Formular: C6H15N
• Molecular Mass: 101.19
• Monoisotopic Mass: 101.12044949
• SMILES: NCCCCCC
• Canonical SMILES: CCCCCCN
• InChI: InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3
• InChIKey: BMVXCPBXGZKUPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexan-1-amine
• IUPAC Traditional name: N-hexylamine; hexylamine
• Synonyms: Hexylamine; 1-Aminohexane; Hexylamine; n-HEXYLAMINE; Hexyl amine; n-Hexylamine; hexan-1-amine; 1-Hexylamine; 1-氨基己烷; 正己胺; 1-己基胺

Database IDs

• CAS Number: 111-26-2
• EC Number: 203-851-8
• MDL Number: MFCD00008240
• Beilstein Number: 1731298
• PubChem SID: 24901990; 162076592; 24853140
• PubChem CID: 8102
• Chemspider ID: 7811
• FEMA ID: 4241
• Wikipedia Title: Hexylamine
• Flavis Number: 11.016

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4364108
• LogD (pH = 7.4): -1.0166342
• Log P: 1.5875775
• Molar Refractivity: 32.9944 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 12 g/L (20 °C) in water; Methanol, dichloromethane, acetone, ethanol
• Apperance: Straw-coloured liquid
• Melting Point: -19°C; -19°C; -23 °C(lit.); -23°C; -23.4°C
• Boiling Point: 129-131°C; 129-131°C; 131.5°C; 131-132 °C(lit.); 131-132°C
• Flash Point: 27 °C; 27°C; 27°C (80.6°F); 27°C(80°F); 80.6 °F
• Density: 0.76 g/ml; 0.766 g/mL at 25 °C(lit.); 0.77 g/cm^3; 0.773
• Refractive Index: 1.418; 1.4180; n20/D 1.418; n20/D 1.418(lit.)
• Vapor Pressure: 18 mm Hg @ 20°C
• Odor: "Fishy", similar to bleach/ammonia

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Air Sensitive; Corrosive/Flammable/Toxic/Harmful/Air Sensitive/Store under Argon
• RTECS: MQ4540000
• European Hazard Symbols: Corrosive (C); Flammable (F); X; Harmful (Xn)
• UN Number: 2734; UN2734
• German water hazard class: 1
• Hazard Class: 3; 8
• Packing Group: 1; I; II
• Australian Hazchem: 3W
• Risk Statements: 10-20/21/22-35; 10-21/22-35; R:10-22-27-36; R:22-27
• Safety Statements: 26-36/37/39-45; S:16-26-36/37/39; S:36/37/39
• EU Classification: CF1
• EU Hazard Identification Number: 8A
• Emergency Response Guidebook(ERG) Number: 132
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• Main Hazard: Corrosive, irritant, sensitizer, mildly toxic
• NFPA704:
  

  3

  2

  0
• Explode Limits: 2.1-9.3 %
• GHS Hazard statements: H226-H301 + H311-H314; H301-H311-H332-H314-H318-H226
• GHS Precautionary statements: P280-P301 + P310-P305 + P351 + P338-P310; P280-P305+P351+P338-P309-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 1

Product Information

• Purity: ≥98.0% (GC); ≥99.5% (GC); 99%
• Grade: puriss.; purum
• Impurities: ≤0.2% water
• Linear Formula: CH3(CH2)5NH2

DETAILS

MP Biomedicals - 02157370

1 ml = approx. 0.76 g

MP Biomedicals - 05203592

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 219703

Packaging
5, 100 mL in glass bottle