N-[2-(hydrazinecarbonyl)ethyl]benzamide

• ChemBase ID: 35105
• Molecular Formular: C10H13N3O2
• Molecular Mass: 207.22912
• Monoisotopic Mass: 207.10077667
• SMILES: C(=O)(c1ccccc1)NCCC(=O)NN
• Canonical SMILES: NNC(=O)CCNC(=O)c1ccccc1
• InChI: InChI=1S/C10H13N3O2/c11-13-9(14)6-7-12-10(15)8-4-2-1-3-5-8/h1-5H,6-7,11H2,(H,12,15)(H,13,14)
• InChIKey: CVNLFXKHHAOTBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(hydrazinecarbonyl)ethyl]benzamide
• IUPAC Traditional name: N-[2-(hydrazinecarbonyl)ethyl]benzamide
• Synonyms: N-(3-Hydrazino-3-oxopropyl)benzamide

Database IDs

• MDL Number: MFCD01365769
• PubChem SID: 160998412
• PubChem CID: 4200460

CALCULATED PROPERTIES

• Acid pKa: 12.569275
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.34213567
• LogD (pH = 7.4): -0.34087884
• Log P: -0.3408601
• Molar Refractivity: 57.1234 cm^3
• Polarizability: 21.33951 Å^3
• Polar Surface Area: 84.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false