N-methylcyclohexanamine

• ChemBase ID: 92073
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: N(C1CCCCC1)C
• Canonical SMILES: CNC1CCCCC1
• InChI: InChI=1S/C7H15N/c1-8-7-5-3-2-4-6-7/h7-8H,2-6H2,1H3
• InChIKey: XTUVJUMINZSXGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylcyclohexanamine
• IUPAC Traditional name: methylcyclohexylamine
• Synonyms: N-methylcyclohexanamine; N-Cyclohexylmethylamine; N-Methylcyclohexylamine; N-Methylcyclohexylamine; N-环己基甲胺; N-甲基环己胺

Database IDs

• CAS Number: 100-60-7
• EC Number: 202-869-3
• MDL Number: MFCD00003832
• Beilstein Number: 1523664
• PubChem SID: 162078771; 24846606
• PubChem CID: 7514

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6308945
• LogD (pH = 7.4): -1.3637103
• Log P: 1.606392
• Molar Refractivity: 35.7076 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -8°C; -9 to -7°C; -9--7 °C(lit.)
• Boiling Point: 149 °C(lit.); 149°C; 149°C
• Flash Point: 29 °C; 29°C; 35°C(95°F); 84.2 °F
• Density: 0.857; 0.868; 0.868 g/mL at 25 °C(lit.)
• Refractive Index: 1.456; 1.4560; n20/D 1.456; n20/D 1.456(lit.)
• Vapor Pressure: 11 mmHg ( 40 °C)
• Vapor Density: 4 (vs air)

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Flammable
• RTECS: GX1529000
• European Hazard Symbols: Corrosive (C); X
• UN Number: 2734; UN2734
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 10-20/22-34; 10-21/22-35
• Safety Statements: 16-26-36/37/39-45; 23-26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H312-H314-H331; H301-H332-H314-H318-H226
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P261-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: ≥98.0% (GC); 98%; 99%
• Grade: purum
• Linear Formula: C6H11NHCH3

DETAILS

Sigma Aldrich - 103322

Packaging
5, 100 g in glass bottle