N-cyclopropylcyclohexanamine hydrochloride

• ChemBase ID: 33080
• Molecular Formular: C9H18ClN
• Molecular Mass: 175.69892
• Monoisotopic Mass: 175.11277726
• SMILES: C1(CC1)NC1CCCCC1.Cl
• Canonical SMILES: C1CCC(CC1)NC1CC1.Cl
• InChI: InChI=1S/C9H17N.ClH/c1-2-4-8(5-3-1)10-9-6-7-9;/h8-10H,1-7H2;1H
• InChIKey: BHEJSAFRFRRXIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropylcyclohexanamine hydrochloride
• IUPAC Traditional name: N-cyclopropylcyclohexanamine hydrochloride
• Synonyms: N-Cyclohexyl-N-cyclopropylamine hydrochloride; N-cyclopropylcyclohexanamine hydrochloride

Database IDs

• MDL Number: MFCD11696449
• PubChem SID: 160996387
• PubChem CID: 44118464

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1618328
• LogD (pH = 7.4): -0.7688861
• Log P: 2.0719566
• Molar Refractivity: 42.9188 cm^3
• Polarizability: 17.397926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.097

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%