4-butylcyclohexan-1-amine hydrochloride

• ChemBase ID: 263665
• Molecular Formular: C10H22ClN
• Molecular Mass: 191.74138
• Monoisotopic Mass: 191.14407739
• SMILES: NC1CCC(CC1)CCCC.Cl
• Canonical SMILES: CCCCC1CCC(CC1)N.Cl
• InChI: InChI=1S/C10H21N.ClH/c1-2-3-4-9-5-7-10(11)8-6-9;/h9-10H,2-8,11H2,1H3;1H
• InChIKey: IVJFCBPULIPGFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-butylcyclohexan-1-amine hydrochloride
• IUPAC Traditional name: 4-butylcyclohexan-1-amine hydrochloride
• Synonyms: 4-butylcyclohexan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD13196146
• PubChem SID: 164319575
• PubChem CID: 45792395

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.23340826
• LogD (pH = 7.4): 0.0516365
• Log P: 2.7945368
• Molar Refractivity: 49.2846 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 166 - 168°C
• Hydrophobicity(logP): 3.473

Product Information

• Purity: 95%