N-methyl(benzyloxy)carbohydrazide

• ChemBase ID: 289285
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: NN(C(=O)OCc1ccccc1)C
• Canonical SMILES: CN(C(=O)OCc1ccccc1)N
• InChI: InChI=1S/C9H12N2O2/c1-11(10)9(12)13-7-8-5-3-2-4-6-8/h2-6H,7,10H2,1H3
• InChIKey: DHBHFHDKOHJROV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl(benzyloxy)carbohydrazide
• IUPAC Traditional name: N-methylbenzyloxycarbohydrazide
• Synonyms: Benzyl 1-methylhydrazinecarboxylate

Database IDs

• CAS Number: 37519-04-3
• MDL Number: MFCD21604061
• PubChem SID: 180674816
• PubChem CID: 11217590

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2388148
• LogD (pH = 7.4): 1.2406528
• Log P: 1.2406763
• Molar Refractivity: 50.0829 cm^3
• Polarizability: 19.178558 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%