1-methylcyclobutan-1-amine hydrochloride

• ChemBase ID: 19033
• Molecular Formular: C5H12ClN
• Molecular Mass: 121.60848
• Monoisotopic Mass: 121.06582707
• SMILES: C1(N)(CCC1)C.Cl
• Canonical SMILES: CC1(N)CCC1.Cl
• InChI: InChI=1S/C5H11N.ClH/c1-5(6)3-2-4-5;/h2-4,6H2,1H3;1H
• InChIKey: JMAQUGPYTWILQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylcyclobutan-1-amine hydrochloride
• IUPAC Traditional name: 1-methylcyclobutan-1-amine hydrochloride
• Synonyms: (1-methylcyclobutyl)amine hydrochloride; 1-methylcyclobutan-1-amine hydrochloride; 1-Methyl-cyclobutylamine hydrochloride

Database IDs

• CAS Number: 174886-05-6
• MDL Number: MFCD09997048
• PubChem SID: 160982340
• PubChem CID: 18332449

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.4630332
• LogD (pH = 7.4): -2.1918218
• Log P: 0.565251
• Molar Refractivity: 26.3692 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

• Hydrophobicity(logP): 0.768

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%