bicyclo[4.1.0]heptan-7-amine hydrochloride

• ChemBase ID: 286395
• Molecular Formular: C7H14ClN
• Molecular Mass: 147.64576
• Monoisotopic Mass: 147.08147713
• SMILES: C1(C2C1CCCC2)N.Cl
• Canonical SMILES: NC1C2C1CCCC2.Cl
• InChI: InChI=1S/C7H13N.ClH/c8-7-5-3-1-2-4-6(5)7;/h5-7H,1-4,8H2;1H
• InChIKey: DHFFJAHGRGPJSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bicyclo[4.1.0]heptan-7-amine hydrochloride
• IUPAC Traditional name: bicyclo[4.1.0]heptan-7-amine hydrochloride
• Synonyms: bicyclo[4.1.0]heptan-7-amine hydrochloride

Database IDs

• MDL Number: MFCD21602801
• PubChem SID: 180671926
• PubChem CID: 72135075

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0252223
• LogD (pH = 7.4): -1.5188954
• Log P: 0.9954628
• Molar Refractivity: 33.473 cm^3
• Polarizability: 13.705201 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 228 - 230°C
• Hydrophobicity(logP): 1.352

Product Information

• Purity: 95%