3-hydrazinylbutanenitrile

• ChemBase ID: 264541
• Molecular Formular: C4H9N3
• Molecular Mass: 99.13436
• Monoisotopic Mass: 99.0796473
• SMILES: N#CCC(NN)C
• Canonical SMILES: CC(NN)CC#N
• InChI: InChI=1S/C4H9N3/c1-4(7-6)2-3-5/h4,7H,2,6H2,1H3
• InChIKey: PSXXNWCPDFFHMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydrazinylbutanenitrile
• IUPAC Traditional name: 3-hydrazinylbutanenitrile
• Synonyms: 3-hydrazinylbutanenitrile

Database IDs

• MDL Number: MFCD11553016
• PubChem SID: 164320451
• PubChem CID: 13671079

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.718239
• LogD (pH = 7.4): -0.62197083
• Log P: -0.6205943
• Molar Refractivity: 39.0778 cm^3
• Polarizability: 10.795051 Å^3
• Polar Surface Area: 61.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.008

Product Information

• Purity: 95%