N-cyclohexyl-N-methylcyclohexanamine

• ChemBase ID: 70470
• Molecular Formular: C13H25N
• Molecular Mass: 195.3443
• Monoisotopic Mass: 195.19869981
• SMILES: C1(CCCCC1)N(C)C1CCCCC1
• Canonical SMILES: CN(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C13H25N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3
• InChIKey: GSCCALZHGUWNJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-N-methylcyclohexanamine
• IUPAC Traditional name: N-cyclohexyl-N-methylcyclohexanamine
• Synonyms: N-Cyclohexyl-N-methylcyclohexanamine; N-Methyldicyclohexylamine; N,N-Dicyclohexylmethylamine; N-甲基二环己基胺; N,N-二环己基甲胺

Database IDs

• CAS Number: 7560-83-0
• EC Number: 231-453-4
• MDL Number: MFCD00014289
• Beilstein Number: 2074991
• PubChem SID: 24862693; 162036186; 24857748
• PubChem CID: 24210

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.28992125
• LogD (pH = 7.4): 0.45688906
• Log P: 3.7887106
• Molar Refractivity: 62.0165 cm^3
• Polarizability: 24.784561 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 265 °C(lit.)
• Flash Point: 110 °C; 230 °F
• Density: 0.912 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.49(lit.); n20/D 1.491

Safety Information

• Storage Warning: IRRITANT
• RTECS: HY4190000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 22-34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: 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 2735 8/PG 2

Product Information

• Purity: ≥97.0% (GC); 95+%; 97%
• Grade: purum
• Linear Formula: (C6H11)2NCH3

DETAILS

Sigma Aldrich - 294942

Packaging
1 kg in glass bottle
250 g in glass bottle

Sigma Aldrich - 36672

Caution
may discolor to brown on storage