bicyclo[1.1.1]pentan-1-amine hydrochloride

• ChemBase ID: 65955
• Molecular Formular: C5H10ClN
• Molecular Mass: 119.5926
• Monoisotopic Mass: 119.05017701
• SMILES: C12(CC(C1)C2)N.Cl
• Canonical SMILES: NC12CC(C1)C2.Cl
• InChI: InChI=1S/C5H9N.ClH/c6-5-1-4(2-5)3-5;/h4H,1-3,6H2;1H
• InChIKey: LQKLVOWNBKJRJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bicyclo[1.1.1]pentan-1-amine hydrochloride
• IUPAC Traditional name: bicyclo[1.1.1]pentan-1-amine hydrochloride
• Synonyms: Bicyclo[1.1.1]pentan-1-amine hydrochloride

Database IDs

• CAS Number: 22287-35-0
• MDL Number: MFCD19204065
• PubChem SID: 162031694
• PubChem CID: 54589873

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.0034266
• LogD (pH = 7.4): -2.6255043
• Log P: 0.021929264
• Molar Refractivity: 24.4376 cm^3
• Polarizability: 10.013423 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%