3,3-dimethylcyclobutan-1-amine hydrochloride

• ChemBase ID: 246112
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: C1(CC(C1)N)(C)C.Cl
• Canonical SMILES: NC1CC(C1)(C)C.Cl
• InChI: InChI=1S/C6H13N.ClH/c1-6(2)3-5(7)4-6;/h5H,3-4,7H2,1-2H3;1H
• InChIKey: UDSDDUMNKUMRIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-dimethylcyclobutan-1-amine hydrochloride
• IUPAC Traditional name: 3,3-dimethylcyclobutan-1-amine hydrochloride
• Synonyms: 3,3-dimethylcyclobutan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22987614
• PubChem SID: 164302022
• PubChem CID: 71757882

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1524687
• LogD (pH = 7.4): -1.7391782
• Log P: 0.8717406
• Molar Refractivity: 30.7547 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.287

Product Information

• Purity: 95%