(1-cyclohexylcyclohexyl)methanamine hydrochloride

• ChemBase ID: 245014
• Molecular Formular: C13H26ClN
• Molecular Mass: 231.80524
• Monoisotopic Mass: 231.17537752
• SMILES: C1(C2CCCCC2)(CN)CCCCC1.Cl
• Canonical SMILES: NCC1(CCCCC1)C1CCCCC1.Cl
• InChI: InChI=1S/C13H25N.ClH/c14-11-13(9-5-2-6-10-13)12-7-3-1-4-8-12;/h12H,1-11,14H2;1H
• InChIKey: HSFOGMNAHNFCQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-cyclohexylcyclohexyl)methanamine hydrochloride
• IUPAC Traditional name: (1-cyclohexylcyclohexyl)methanamine hydrochloride
• Synonyms: (1-cyclohexylcyclohexyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD22741291
• PubChem SID: 164300924
• PubChem CID: 71757642

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.45366865
• LogD (pH = 7.4): 1.0812398
• Log P: 3.468393
• Molar Refractivity: 61.2123 cm^3
• Polarizability: 24.784561 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 201 - 203°C
• Hydrophobicity(logP): 4.536

Product Information

• Purity: 95%