(1-methylcyclobutyl)methanamine hydrochloride

• ChemBase ID: 63865
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: C1CC(CN)(C)C1.Cl
• Canonical SMILES: NCC1(C)CCC1.Cl
• InChI: InChI=1S/C6H13N.ClH/c1-6(5-7)3-2-4-6;/h2-5,7H2,1H3;1H
• InChIKey: QIDPAPJHVFAHPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1245647-53-3
• MDL Number: MFCD18074449
• PubChem SID: 162029604
• PubChem CID: 56971712

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0377057
• LogD (pH = 7.4): -1.4220916
• Log P: 0.9776879
• Molar Refractivity: 30.8599 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 273 - 275°C
• Hydrophobicity(logP): 1.387

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%