1-methylcyclobutan-1-amine

• ChemBase ID: 31667
• Molecular Formular: C5H11N
• Molecular Mass: 85.14754
• Monoisotopic Mass: 85.08914936
• SMILES: C1(N)(CCC1)C
• Canonical SMILES: CC1(N)CCC1
• InChI: InChI=1S/C5H11N/c1-5(6)3-2-4-5/h2-4,6H2,1H3
• InChIKey: ZAXBVBGWLMVNJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 40571-47-9
• MDL Number: MFCD08445778
• PubChem SID: 160994974
• PubChem CID: 14988399

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%