2-cyclohexylethan-1-amine

• ChemBase ID: 256116
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: NCCC1CCCCC1
• Canonical SMILES: NCCC1CCCCC1
• InChI: InChI=1S/C8H17N/c9-7-6-8-4-2-1-3-5-8/h8H,1-7,9H2
• InChIKey: HFACYWDPMNWMIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexylethan-1-amine
• IUPAC Traditional name: cyclohexaneethanamine (9CI)
• Synonyms: (2-cyclohexylethyl)amine; 2-cyclohexylethanamine; 2-CYCLOHEXYL-ETHYLAMINE; 1-Amino-2-cyclohexylethane; Cyclohexaneethylamine; 2-Cyclohexylethylamine; 2-环己基乙胺

Database IDs

• CAS Number: 4442-85-7
• EC Number: 224-673-7
• MDL Number: MFCD01734731; MFCD00058668
• PubChem SID: 164312026
• PubChem CID: 20509

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

• Hydrophobicity(logP): 2.515

Safety Information

• Storage Warning: Air Sensitive
• RTECS: KR3325000
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 95%; 95+%; 97%; 98%