1-cyclobutylcyclopropan-1-amine hydrochloride

• ChemBase ID: 245915
• Molecular Formular: C7H14ClN
• Molecular Mass: 147.64576
• Monoisotopic Mass: 147.08147713
• SMILES: C1(CC1)(C1CCC1)N.Cl
• Canonical SMILES: NC1(CC1)C1CCC1.Cl
• InChI: InChI=1S/C7H13N.ClH/c8-7(4-5-7)6-2-1-3-6;/h6H,1-5,8H2;1H
• InChIKey: RNKWYSGBHBVOLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclobutylcyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 1-cyclobutylcyclopropan-1-amine hydrochloride
• Synonyms: 1-cyclobutylcyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD23144176
• PubChem SID: 164301825
• PubChem CID: 71757825

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0371885
• LogD (pH = 7.4): -1.6876588
• Log P: 0.98902035
• Molar Refractivity: 33.5626 cm^3
• Polarizability: 13.705201 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.122

Product Information

• Purity: 95%