tert-butyl N-[(1S)-1-(hydrazinecarbonyl)-2-methylpropyl]carbamate

• ChemBase ID: 59957
• Molecular Formular: C10H21N3O3
• Molecular Mass: 231.29204
• Monoisotopic Mass: 231.15829155
• SMILES: C(=O)(N[C@H](C(=O)NN)C(C)C)OC(C)(C)C
• Canonical SMILES: NNC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C10H21N3O3/c1-6(2)7(8(14)13-11)12-9(15)16-10(3,4)5/h6-7H,11H2,1-5H3,(H,12,15)(H,13,14)/t7-/m0/s1
• InChIKey: WMBPJIUIZSZLSH-ZETCQYMHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[(1S)-1-(hydrazinecarbonyl)-2-methylpropyl]carbamate
• IUPAC Traditional name: tert-butyl N-[(1S)-1-(hydrazinecarbonyl)-2-methylpropyl]carbamate
• Synonyms: tert-Butyl [(1S)-1-(hydrazinocarbonyl)-2-methylpropyl]carbamate

Database IDs

• MDL Number: MFCD01861351
• PubChem SID: 162064720
• PubChem CID: 40418721

CALCULATED PROPERTIES

• Acid pKa: 12.729362
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.69652957
• LogD (pH = 7.4): 0.6974494
• Log P: 0.697463
• Molar Refractivity: 60.6722 cm^3
• Polarizability: 23.736328 Å^3
• Polar Surface Area: 93.45 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false