1-(2-phenylethyl)aziridine

• ChemBase ID: 112481
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: C1CN1CCc1ccccc1
• Canonical SMILES: c1ccc(cc1)CCN1CC1
• InChI: InChI=1S/C10H13N/c1-2-4-10(5-3-1)6-7-11-8-9-11/h1-5H,6-9H2
• InChIKey: QSHMWSLFNQLCNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-phenylethyl)aziridine
• IUPAC Traditional name: 1-(2-phenylethyl)aziridine
• Synonyms: N-PHENETHYL ETHYLENEIMINE

Database IDs

• PubChem SID: 162106798
• PubChem CID: 76626

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1364902
• LogD (pH = 7.4): 1.9957426
• Log P: 2.0317788
• Molar Refractivity: 47.3867 cm^3
• Polarizability: 18.46542 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05224318

MP Biomedicals Rare Chemical collection