cyclohexanamine hydrochloride

• ChemBase ID: 110408
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: Cl.NC1CCCCC1
• Canonical SMILES: NC1CCCCC1.Cl
• InChI: InChI=1S/C6H13N.ClH/c7-6-4-2-1-3-5-6;/h6H,1-5,7H2;1H
• InChIKey: ZJUGSKJHHWASAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexanamine hydrochloride
• IUPAC Traditional name: cyclohexylamine hydrochloride
• Synonyms: Cyclohexylamine hydrochloride; CYCLOHEXYLAMINE HYDROCHLORIDE; Cyclohexanamine hydrochloride; 环已胺盐酸盐

Database IDs

• CAS Number: 4998-76-9
• EC Number: 225-661-4
• MDL Number: MFCD00050540
• Beilstein Number: 3613002
• PubChem SID: 162095991
• PubChem CID: 2723770

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8541405
• LogD (pH = 7.4): -1.5693852
• Log P: 1.1738117
• Molar Refractivity: 30.933 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 205°C; 206-209°C
• Density: 0.867 g/ml

Safety Information

• Storage Warning: Hygroscopic
• RTECS: GX1440000
• European Hazard Symbols: Corrosive (C); Flammable (F); X
• Risk Statements: 22-36/37/38-62; R:10-22-34
• Safety Statements: 26-36/37; S:16-26-27/28-36/37/39-46-64
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08
• GHS Hazard statements: H301-H315-H319-H335-H361
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 95+%; 98+%

DETAILS

MP Biomedicals - 05214893

MP Biomedicals Rare Chemical collection