(1R,5S)-3-azabicyclo[3.1.0]hexan-6-amine hydrochloride

• ChemBase ID: 799747
• Molecular Formular: C5H11ClN2
• Molecular Mass: 134.60724
• Monoisotopic Mass: 134.06107604
• SMILES: Cl.[C@H]12CNC[C@H]1C2N
• Canonical SMILES: NC1[C@@H]2[C@H]1CNC2.Cl
• InChI: InChI=1S/C5H10N2.ClH/c6-5-3-1-7-2-4(3)5;/h3-5,7H,1-2,6H2;1H/t3-,4+,5?
• InChIKey: MQXZVWGFIMUKQZ-FLGDEJNQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5S)-3-azabicyclo[3.1.0]hexan-6-amine hydrochloride
• IUPAC Traditional name: (1R,5S)-3-azabicyclo[3.1.0]hexan-6-amine hydrochloride
• Synonyms: (1R,5S)-3-azabicyclo[3.1.0]hexan-6-amine HCl salt

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: 97%