(cyclohexylmethyl)(propyl)amine hydrochloride

• ChemBase ID: 262084
• Molecular Formular: C10H22ClN
• Molecular Mass: 191.74138
• Monoisotopic Mass: 191.14407739
• SMILES: N(CC1CCCCC1)CCC.Cl
• Canonical SMILES: CCCNCC1CCCCC1.Cl
• InChI: InChI=1S/C10H21N.ClH/c1-2-8-11-9-10-6-4-3-5-7-10;/h10-11H,2-9H2,1H3;1H
• InChIKey: DQAFYHYGQKCANY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclohexylmethyl)(propyl)amine hydrochloride
• IUPAC Traditional name: (cyclohexylmethyl)(propyl)amine hydrochloride
• Synonyms: (cyclohexylmethyl)(propyl)amine hydrochloride

Database IDs

• MDL Number: MFCD02318913
• PubChem SID: 164317994
• PubChem CID: 17157651

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.43826875
• LogD (pH = 7.4): -0.249927
• Log P: 2.8007352
• Molar Refractivity: 49.711 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 269 - 271°C
• Hydrophobicity(logP): 3.19

Product Information

• Purity: 95%