2-methylcyclohexan-1-amine

• ChemBase ID: 110910
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: CC1CCCCC1N
• Canonical SMILES: CC1CCCCC1N
• InChI: InChI=1S/C7H15N/c1-6-4-2-3-5-7(6)8/h6-7H,2-5,8H2,1H3
• InChIKey: FEUISMYEFPANSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylcyclohexan-1-amine
• IUPAC Traditional name: 2-methylcyclohexan-1-amine
• Synonyms: 1-Amino-2-methylcyclohexane; 2-Methylcyclohexylamine, mixture of cis and trans; 2-Methylcyclohexylamine; CYCLOHEXYLMETHYLAMINE; 2-Methylcyclohexylamine, cis + trans; 2-Methylcyclohexylamine; 邻甲基环己胺; 2-甲基环己胺，顺反异构体混合物; 2-甲基环己胺; 2-甲基环己基胺, cis + trans

Database IDs

• CAS Number: 7003-32-9
• EC Number: 230-277-5
• MDL Number: MFCD00001492
• Beilstein Number: 2689073
• PubChem SID: 24851594; 24884688; 162103222
• PubChem CID: 23432

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4896855
• LogD (pH = 7.4): -1.2262532
• Log P: 1.5387845
• Molar Refractivity: 35.4046 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 147-149 °C(lit.); 149-150 °C(lit.); 149-150°C
• Flash Point: 102.2 °F; 21°C(69°F); 39 °C
• Density: 0.856 g/mL at 25 °C(lit.); 0.858; 0.859 g/mL at 20 °C(lit.)
• Refractive Index: 1.4565; n20/D 1.4565(lit.); n20/D 1.457

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 2733; UN2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 10-22-34; 10-34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314-H318; H226-H302-H314
• 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 2733 3/PG 2

Product Information

• Purity: ≥99.0% (GC); 97%; 98%
• Grade: purum
• Linear Formula: CH3C6H10NH2
• Empirical Formula (Hill Notation): C7H15N

DETAILS

MP Biomedicals - 05216935

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 193437

Packaging
10, 50 g in glass bottle