3-azabicyclo[3.1.0]hexan-6-amine

• ChemBase ID: 812247
• Molecular Formular: C5H10N2
• Molecular Mass: 98.1463
• Monoisotopic Mass: 98.08439833
• SMILES: C12CNCC1C2N
• Canonical SMILES: NC1C2C1CNC2
• InChI: InChI=1S/C5H10N2/c6-5-3-1-7-2-4(3)5/h3-5,7H,1-2,6H2
• InChIKey: MNUHYQZBNHDABI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-azabicyclo[3.1.0]hexan-6-amine
• IUPAC Traditional name: 3-azabicyclo[3.1.0]hexan-6-amine
• Synonyms: 3-AZABICYCLO[3.1.0]HEXAN-6-AMINE

Database IDs

• CAS Number: 208837-84-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -7.3865914
• LogD (pH = 7.4): -5.7145114
• Log P: -1.3759168
• Molar Refractivity: 27.9038 cm^3
• Polarizability: 11.537066 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%