3-methylcyclobutan-1-amine hydrochloride

• ChemBase ID: 285921
• Molecular Formular: C5H12ClN
• Molecular Mass: 121.60848
• Monoisotopic Mass: 121.06582707
• SMILES: C1(CC(C1)C)N.Cl
• Canonical SMILES: CC1CC(C1)N.Cl
• InChI: InChI=1S/C5H11N.ClH/c1-4-2-5(6)3-4;/h4-5H,2-3,6H2,1H3;1H
• InChIKey: VXDHLHFUJZFKHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylcyclobutan-1-amine hydrochloride
• IUPAC Traditional name: 3-methylcyclobutan-1-amine hydrochloride
• Synonyms: 3-Methylcyclobutanamine hydrochloride; 3-methylcyclobutan-1-amine hydrochloride

Database IDs

• CAS Number: 89381-07-7
• MDL Number: MFCD12923217
• PubChem SID: 180671452
• PubChem CID: 53308463

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.452831
• LogD (pH = 7.4): -2.048969
• Log P: 0.5716934
• Molar Refractivity: 26.2796 cm^3
• Polarizability: 10.75224 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): 0.768

Product Information

• Purity: 95%; 95+%