1-phenylcyclopropan-1-amine

• ChemBase ID: 293471
• Molecular Formular: C9H11N
• Molecular Mass: 133.19034
• Monoisotopic Mass: 133.08914936
• SMILES: NC1(c2ccccc2)CC1
• Canonical SMILES: NC1(CC1)c1ccccc1
• InChI: InChI=1S/C9H11N/c10-9(6-7-9)8-4-2-1-3-5-8/h1-5H,6-7,10H2
• InChIKey: OYRBDGKUVUVWRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenylcyclopropan-1-amine
• IUPAC Traditional name: 1-phenylcyclopropan-1-amine
• Synonyms: (1-phenylcyclopropyl)amine; 1-Phenyl-cyclopropylamine

Database IDs

• CAS Number: 41049-53-0
• MDL Number: MFCD05863520
• PubChem SID: 180679002
• PubChem CID: 194549

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

Product Information

• Purity: 95+%; 98%