6,6-dimethyl-3-azabicyclo[3.1.0]hexane hydrochloride

• ChemBase ID: 279591
• Molecular Formular: C7H14ClN
• Molecular Mass: 147.64576
• Monoisotopic Mass: 147.08147713
• SMILES: C1(C2C1CNC2)(C)C.Cl
• Canonical SMILES: CC1(C)C2C1CNC2.Cl
• InChI: InChI=1S/C7H13N.ClH/c1-7(2)5-3-8-4-6(5)7;/h5-6,8H,3-4H2,1-2H3;1H
• InChIKey: HEMYJVAMSVISRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,6-dimethyl-3-azabicyclo[3.1.0]hexane hydrochloride
• IUPAC Traditional name: 6,6-dimethyl-3-azabicyclo[3.1.0]hexane hydrochloride
• Synonyms: 6,6-dimethyl-3-azabicyclo[3.1.0]hexane hydrochloride

Database IDs

• MDL Number: MFCD20441578
• PubChem SID: 164335501
• PubChem CID: 54595338

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.6185968
• LogD (pH = 7.4): -2.4972858
• Log P: 0.6216363
• Molar Refractivity: 33.7981 cm^3
• Polarizability: 13.705201 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 138 - 140°C
• Hydrophobicity(logP): 1.429

Product Information

• Purity: 95%