cyclohexanamine hydrobromide

• ChemBase ID: 109194
• Molecular Formular: C6H14BrN
• Molecular Mass: 180.08606
• Monoisotopic Mass: 179.03096145
• SMILES: Br.NC1CCCCC1
• Canonical SMILES: NC1CCCCC1.Br
• InChI: InChI=1S/C6H13N.BrH/c7-6-4-2-1-3-5-6;/h6H,1-5,7H2;1H
• InChIKey: QOHWJRRXQPGIQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexanamine hydrobromide
• IUPAC Traditional name: cyclohexylamine hydrobromide
• Synonyms: CYCLOHEXYLAMINE HYDROBROMIDE; Cyclohexylamine hydrobromide; Cyclohexanamine hydrobromide; 环己胺溴氢酸盐

Database IDs

• CAS Number: 26227-54-3
• EC Number: 247-526-9
• MDL Number: MFCD00034986
• Beilstein Number: 3908098
• PubChem SID: 162094912
• PubChem CID: 117303

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: 197-201°C

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38-62
• Safety Statements: 26-36/37
• TSCA Listed: 否
• 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%