tert-butyl N-{2-[(hydrazinecarbonyl)amino]ethyl}carbamate

• ChemBase ID: 274988
• Molecular Formular: C8H18N4O3
• Molecular Mass: 218.25352
• Monoisotopic Mass: 218.13789046
• SMILES: C(=O)(OC(C)(C)C)NCCNC(=O)NN
• Canonical SMILES: NNC(=O)NCCNC(=O)OC(C)(C)C
• InChI: InChI=1S/C8H18N4O3/c1-8(2,3)15-7(14)11-5-4-10-6(13)12-9/h4-5,9H2,1-3H3,(H,11,14)(H2,10,12,13)
• InChIKey: QATKIPIGZRCTQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-{2-[(hydrazinecarbonyl)amino]ethyl}carbamate
• IUPAC Traditional name: tert-butyl N-{2-[(hydrazinecarbonyl)amino]ethyl}carbamate
• Synonyms: tert-butyl N-{2-[(hydrazinecarbonyl)amino]ethyl}carbamate

Database IDs

• MDL Number: MFCD18917281
• PubChem SID: 164330898
• PubChem CID: 54593453

CALCULATED PROPERTIES

• Acid pKa: 12.778998
• H Acceptors: 3
• H Donor: 4
• LogD (pH = 5.5): -0.7431652
• LogD (pH = 7.4): -0.7415424
• Log P: -0.7415199
• Molar Refractivity: 55.3462 cm^3
• Polarizability: 21.244106 Å^3
• Polar Surface Area: 105.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.494

Product Information

• Purity: 95%