cyclobutylmethanamine hydrochloride

• ChemBase ID: 63864
• Molecular Formular: C5H12ClN
• Molecular Mass: 121.60848
• Monoisotopic Mass: 121.06582707
• SMILES: Cl.C1(CCC1)CN
• Canonical SMILES: NCC1CCC1.Cl
• InChI: InChI=1S/C5H11N.ClH/c6-4-5-2-1-3-5;/h5H,1-4,6H2;1H
• InChIKey: JVZOVVGVPJVLSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclobutylmethanamine hydrochloride
• IUPAC Traditional name: cyclobutylmethanamine hydrochloride
• Synonyms: 1-cyclobutylmethanamine hydrochloride; Cyclobutanemethanamine hydrochloride; CyclobutylMethanaMine hydrochloride; 1-Cyclobutylmethylamine hydrochloride

Database IDs

• CAS Number: 5454-82-0
• MDL Number: MFCD00034952
• PubChem SID: 162029603
• PubChem CID: 21707944

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.4246025
• LogD (pH = 7.4): -2.013694
• Log P: 0.5996871
• Molar Refractivity: 26.4618 cm^3
• Polarizability: 10.75224 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 242 - 244°C
• Hydrophobicity(logP): 0.868

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 95+%; 97%