butanehydrazide

• ChemBase ID: 52062
• Molecular Formular: C4H10N2O
• Molecular Mass: 102.135
• Monoisotopic Mass: 102.07931295
• SMILES: C(=O)(CCC)NN
• Canonical SMILES: CCCC(=O)NN
• InChI: InChI=1S/C4H10N2O/c1-2-3-4(7)6-5/h2-3,5H2,1H3,(H,6,7)
• InChIKey: FCCCRBDJBTVFSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butanehydrazide
• IUPAC Traditional name: butryic acid hydrazide
• Synonyms: Butyric acid hydrazide; butanohydrazide; Butyrohydrazide; Butyric acid hydrazide; 丁酸肼

Database IDs

• CAS Number: 3538-65-6
• EC Number: 222-579-0
• MDL Number: MFCD00025135
• Beilstein Number: 635863
• PubChem SID: 162056825
• PubChem CID: 77079

CALCULATED PROPERTIES

• Acid pKa: 13.383523
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.18421307
• LogD (pH = 7.4): -0.18169221
• Log P: -0.1816595
• Molar Refractivity: 28.1779 cm^3
• Polarizability: 10.746768 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 41-46°C; 46-49°C
• Boiling Point: 120°C/10mm

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 98%

DETAILS

MP Biomedicals - 05223943

MP Biomedicals Rare Chemical collection