benzyl N-[(1S)-1-(hydrazinecarbonyl)-2-hydroxyethyl]carbamate

• ChemBase ID: 287557
• Molecular Formular: C11H15N3O4
• Molecular Mass: 253.2545
• Monoisotopic Mass: 253.10625598
• SMILES: O=C(OCc1ccccc1)N[C@@H](CO)C(=O)NN
• Canonical SMILES: OC[C@@H](C(=O)NN)NC(=O)OCc1ccccc1
• InChI: InChI=1S/C11H15N3O4/c12-14-10(16)9(6-15)13-11(17)18-7-8-4-2-1-3-5-8/h1-5,9,15H,6-7,12H2,(H,13,17)(H,14,16)/t9-/m0/s1
• InChIKey: WUDRJXCGIRLAEC-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl N-[(1S)-1-(hydrazinecarbonyl)-2-hydroxyethyl]carbamate
• IUPAC Traditional name: benzyl N-[(1S)-1-(hydrazinecarbonyl)-2-hydroxyethyl]carbamate
• Synonyms: (S)-Benzyl (1-hydrazinyl-3-hydroxy-1-oxopropan-2-yl)carbamate

Database IDs

• CAS Number: 26582-86-5
• MDL Number: MFCD00153341
• PubChem SID: 180673088
• PubChem CID: 7016357

CALCULATED PROPERTIES

• Acid pKa: 12.174409
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -0.5668931
• LogD (pH = 7.4): -0.5664411
• Log P: -0.5664287
• Molar Refractivity: 64.0273 cm^3
• Polarizability: 24.766733 Å^3
• Polar Surface Area: 113.68 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%