1-benzylazetidine-2-carbohydrazide

• ChemBase ID: 309481
• Molecular Formular: C11H15N3O
• Molecular Mass: 205.2563
• Monoisotopic Mass: 205.12151212
• SMILES: N1(C(C(=O)NN)CC1)Cc1ccccc1
• Canonical SMILES: NNC(=O)C1CCN1Cc1ccccc1
• InChI: InChI=1S/C11H15N3O/c12-13-11(15)10-6-7-14(10)8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2,(H,13,15)
• InChIKey: BTHAKWPXUJSAGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzylazetidine-2-carbohydrazide
• IUPAC Traditional name: 1-benzylazetidine-2-carbohydrazide
• Synonyms: 1-benzyl-2-azetidinecarbohydrazide

Database IDs

• CAS Number: 60169-37-1
• MDL Number: MFCD16556155

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2223406
• LogD (pH = 7.4): 0.21090074
• Log P: 0.38959867
• Molar Refractivity: 59.6333 cm^3
• Polarizability: 22.964777 Å^3
• Polar Surface Area: 58.36 Å^2