butyl (hydrazinecarbonyl)formate

• ChemBase ID: 111933
• Molecular Formular: C6H12N2O3
• Molecular Mass: 160.17108
• Monoisotopic Mass: 160.08479225
• SMILES: CCCCOC(=O)C(=O)NN
• Canonical SMILES: CCCCOC(=O)C(=O)NN
• InChI: InChI=1S/C6H12N2O3/c1-2-3-4-11-6(10)5(9)8-7/h2-4,7H2,1H3,(H,8,9)
• InChIKey: HWZJMBLURIBTRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl (hydrazinecarbonyl)formate
• IUPAC Traditional name: butyl (hydrazinecarbonyl)formate
• Synonyms: Butyl Hydrazine Ethanedioate; n-BUTYL HYDRAZINE OXALATE

Database IDs

• CAS Number: 40711-41-9
• EC Number: 255-050-8
• PubChem SID: 162097143
• PubChem CID: 44135786

CALCULATED PROPERTIES

• Acid pKa: 9.810417
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.3355852
• LogD (pH = 7.4): 0.33445966
• Log P: 0.3359565
• Molar Refractivity: 39.3876 cm^3
• Polarizability: 15.274739 Å^3
• Polar Surface Area: 81.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05221778

MP Biomedicals Rare Chemical collection