2-phenylcyclopropan-1-amine hydrochloride

• ChemBase ID: 103920
• Molecular Formular: C9H12ClN
• Molecular Mass: 169.65128
• Monoisotopic Mass: 169.06582707
• SMILES: Cl.NC1CC1c1ccccc1
• Canonical SMILES: NC1CC1c1ccccc1.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
• InChIKey: ZPEFMSTTZXJOTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylcyclopropan-1-amine hydrochloride
• IUPAC Traditional name: parnate hydrochloride; hydrochloride parnate
• Synonyms: 2-phenylcyclopropan-1-amine hydrochloride; Tranylcypromine; trans-2-PHENYLCYCLOPROPYL-AMINE; 2-phenylcyclopropanamine hydrochloride

Database IDs

• CAS Number: 95-62-5; 155-09-8
• MDL Number: MFCD00003575
• PubChem SID: 162092442
• PubChem CID: 11957673

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

Physical Property

• Melting Point: 155 - 157°C
• Hydrophobicity(logP): 1.478

Safety Information

• Storage Condition: Room Temperature (15-30°C)

Product Information

• Purity: 95%; 98%

DETAILS

MP Biomedicals - 02153566

Hydrochloride
Monoamine Oxidase inhibitor