1-phenylcyclobutan-1-amine

• ChemBase ID: 257118
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: C1(c2ccccc2)(N)CCC1
• Canonical SMILES: NC1(CCC1)c1ccccc1
• InChI: InChI=1S/C10H13N/c11-10(7-4-8-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,11H2
• InChIKey: OZJAIRCFCMQFIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenylcyclobutan-1-amine
• IUPAC Traditional name: 1-phenylcyclobutan-1-amine
• Synonyms: 1-phenylcyclobutanamine; 1-PHENYLCYCLOBUTYLAMINE

Database IDs

• CAS Number: 17380-77-7
• MDL Number: MFCD08444192
• PubChem SID: 164313028
• PubChem CID: 152214

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0784391
• LogD (pH = 7.4): -0.39549473
• Log P: 1.9329162
• Molar Refractivity: 46.2332 cm^3
• Polarizability: 18.543133 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.997

Product Information

• Purity: 95%; 98%