1-phenylcyclopropan-1-amine hydrochloride

• ChemBase ID: 53247
• Molecular Formular: C9H12ClN
• Molecular Mass: 169.65128
• Monoisotopic Mass: 169.06582707
• SMILES: C1(CC1)(N)c1ccccc1.Cl
• Canonical SMILES: NC1(CC1)c1ccccc1.Cl
• InChI: InChI=1S/C9H11N.ClH/c10-9(6-7-9)8-4-2-1-3-5-8;/h1-5H,6-7,10H2;1H
• InChIKey: ABUWJOHYZALSMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenylcyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 1-phenylcyclopropan-1-amine hydrochloride
• Synonyms: 1-Phenylcyclopropanamine hydrochloride; (1-phenylcyclopropyl)amine hydrochloride; 1-phenylcyclopropan-1-amine hydrochloride

Database IDs

• CAS Number: 73930-39-9
• MDL Number: MFCD07995722
• PubChem SID: 162058010
• PubChem CID: 194548

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.508987
• LogD (pH = 7.4): -0.6538166
• Log P: 1.4883475
• Molar Refractivity: 41.6322 cm^3
• Polarizability: 16.696098 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 202 - 204°C
• Hydrophobicity(logP): 1.438

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%