cyclohexylmethanamine

• ChemBase ID: 89524
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: NCC1CCCCC1
• Canonical SMILES: NCC1CCCCC1
• InChI: InChI=1S/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2
• InChIKey: AVKNGPAMCBSNSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexylmethanamine
• IUPAC Traditional name: (aminomethyl)cyclohexane
• Synonyms: (Aminomethyl)cyclohexane; Cyclohexanemethylamine; Cyclohexylmethylamine; Hexahydrobenzylamine; (Aminomethyl)cyclohexane; Cyclohexylmethanamine; 氨基甲基环己烷; 环己基甲胺; 环己甲胺

Database IDs

• CAS Number: 3218-02-8
• EC Number: 221-741-8
• MDL Number: MFCD00001520
• Beilstein Number: 635751
• PubChem SID: 24846185; 24846555; 162076404
• PubChem CID: 76688

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5354651
• LogD (pH = 7.4): -1.1245568
• Log P: 1.4888244
• Molar Refractivity: 35.6638 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -8°C
• Boiling Point: 159-161 °C(lit.); 159-161°C; 161-163°C
• Flash Point: 118.4 °F; 43°C(109°F); 48 °C; 48°C
• Density: 0.87 g/mL at 25 °C(lit.); 0.870; 0.871
• Refractive Index: 1.4620; n20/D 1.462; n20/D 1.462(lit.)

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Flammable/Air Sensitive/Store under Argon
• RTECS: GV6128000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2734; UN2734
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 10-34
• Safety Statements: 16-26-36/37/39-45; 20-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314; H314-H318-H226
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; 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); 95+%; 98%
• Grade: purum
• Linear Formula: C6H11CH2NH2

DETAILS

Sigma Aldrich - 101842

Packaging
5, 25, 100 g in glass bottle