(1R,3S)-3-cyclopropylcyclohexan-1-amine hydrochloride

• ChemBase ID: 282666
• Molecular Formular: C9H18ClN
• Molecular Mass: 175.69892
• Monoisotopic Mass: 175.11277726
• SMILES: C1(CC1)[C@@H]1C[C@H](N)CCC1.Cl
• Canonical SMILES: N[C@@H]1CCC[C@@H](C1)C1CC1.Cl
• InChI: InChI=1S/C9H17N.ClH/c10-9-3-1-2-8(6-9)7-4-5-7;/h7-9H,1-6,10H2;1H/t8-,9+;/m0./s1
• InChIKey: BWKSMEMRIWRULY-OULXEKPRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,3S)-3-cyclopropylcyclohexan-1-amine hydrochloride
• IUPAC Traditional name: (1R,3S)-3-cyclopropylcyclohexan-1-amine hydrochloride
• Synonyms: (1R,3S)-3-cyclopropylcyclohexan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD20441642
• PubChem SID: 180668197
• PubChem CID: 54595459

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2991583
• LogD (pH = 7.4): -1.0103545
• Log P: 1.7286927
• Molar Refractivity: 42.829 cm^3
• Polarizability: 17.397926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 215 - 217°C
• Hydrophobicity(logP): 2.24

Product Information

• Purity: 95%