(1S,2R)-2-phenylcyclopropan-1-amine hydrochloride

• ChemBase ID: 313044
• Molecular Formular: C9H12ClN
• Molecular Mass: 169.65128
• Monoisotopic Mass: 169.06582707
• SMILES: Cl.c1cccc(c1)[C@@H]1[C@H](C1)N
• Canonical SMILES: N[C@H]1C[C@@H]1c1ccccc1.Cl
• InChI: InChI=1S/C9H11N.ClH/c10-9-6-8(9)7-4-2-1-3-5-7;/h1-5,8-9H,6,10H2;1H/t8-,9+;/m1./s1
• InChIKey: ZPEFMSTTZXJOTM-RJUBDTSPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2R)-2-phenylcyclopropan-1-amine hydrochloride
• IUPAC Traditional name: (1S,2R)-2-phenylcyclopropan-1-amine hydrochloride
• Synonyms: Tranylcypromine (2-PCPA) HCl

Database IDs

• CAS Number: 4548-34-9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6602782
• LogD (pH = 7.4): -0.82371813
• Log P: 1.3388824
• Molar Refractivity: 41.6966 cm^3
• Polarizability: 16.617031 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Others

Product Information

• Salt Data: HCl