2-cyclohexylethan-1-amine hydrochloride

• ChemBase ID: 55687
• Molecular Formular: C8H18ClN
• Molecular Mass: 163.68822
• Monoisotopic Mass: 163.11277726
• SMILES: C1CCC(CC1)CCN.Cl
• Canonical SMILES: NCCC1CCCCC1.Cl
• InChI: InChI=1S/C8H17N.ClH/c9-7-6-8-4-2-1-3-5-8;/h8H,1-7,9H2;1H
• InChIKey: UZNMRHPOSFFDLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexylethan-1-amine hydrochloride
• IUPAC Traditional name: cyclohexaneethanamine (9CI) hydrochloride
• Synonyms: (2-Cyclohexylethyl)amine hydrochloride; 2-Cyclohexylethylamine hydrochloride; 2-Cyclohexylethylamine hydrochloride; 2-cyclohexylethanamine hydrochloride

Database IDs

• CAS Number: 4442-85-7; 5471-55-6
• MDL Number: MFCD01734731
• PubChem SID: 162060450
• PubChem CID: 200008

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.168377
• LogD (pH = 7.4): -0.743627
• Log P: 1.8554393
• Molar Refractivity: 40.3418 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 255 - 257°C
• Hydrophobicity(logP): 2.515

Safety Information

• Storage Warning: IRRITANT
• RTECS: GV2350000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 95%; 95+%; 97%; 98%