2-cyclohexylpropan-2-amine hydrochloride

• ChemBase ID: 266897
• Molecular Formular: C9H20ClN
• Molecular Mass: 177.7148
• Monoisotopic Mass: 177.12842733
• SMILES: C(C1CCCCC1)(N)(C)C.Cl
• Canonical SMILES: CC(C1CCCCC1)(N)C.Cl
• InChI: InChI=1S/C9H19N.ClH/c1-9(2,10)8-6-4-3-5-7-8;/h8H,3-7,10H2,1-2H3;1H
• InChIKey: AQUMCDKBSXDGCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexylpropan-2-amine hydrochloride
• IUPAC Traditional name: 2-cyclohexylpropan-2-amine hydrochloride
• Synonyms: 2-cyclohexylpropan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD16040090
• PubChem SID: 164322807
• PubChem CID: 47002866

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.84417176
• LogD (pH = 7.4): -0.65830123
• Log P: 2.185976
• Molar Refractivity: 44.7208 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 258 - 260°C
• Hydrophobicity(logP): 2.694

Product Information

• Purity: 95%