2-cyclohexylpropan-1-amine hydrochloride

• ChemBase ID: 263801
• Molecular Formular: C9H20ClN
• Molecular Mass: 177.7148
• Monoisotopic Mass: 177.12842733
• SMILES: C1(C(CN)C)CCCCC1.Cl
• Canonical SMILES: NCC(C1CCCCC1)C.Cl
• InChI: InChI=1S/C9H19N.ClH/c1-8(7-10)9-5-3-2-4-6-9;/h8-9H,2-7,10H2,1H3;1H
• InChIKey: HMAOUDLMOZCPRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexylpropan-1-amine hydrochloride
• IUPAC Traditional name: 2-cyclohexylpropan-1-amine hydrochloride
• Synonyms: 2-cyclohexylpropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD01734733
• PubChem SID: 164319711
• PubChem CID: 24837056

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8038768
• LogD (pH = 7.4): -0.3929511
• Log P: 2.2204123
• Molar Refractivity: 44.8134 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 195 - 197°C
• Hydrophobicity(logP): 2.914

Product Information

• Purity: 95%