4-hydroxybutanehydrazide

• ChemBase ID: 55925
• Molecular Formular: C4H10N2O2
• Molecular Mass: 118.1344
• Monoisotopic Mass: 118.07422757
• SMILES: C(=O)(NN)CCCO
• Canonical SMILES: NNC(=O)CCCO
• InChI: InChI=1S/C4H10N2O2/c5-6-4(8)2-1-3-7/h7H,1-3,5H2,(H,6,8)
• InChIKey: WOXQFPPKZBOSTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxybutanehydrazide
• IUPAC Traditional name: 4-hydroxybutanehydrazide
• Synonyms: 4-Hydroxybutanohydrazide; 4-hydroxybutanehydrazide; 4-Hydroxybutanoic hydrazide; 4-Hydroxybutyric acid hydrazide; 4-羟基丁酸肼

Database IDs

• CAS Number: 3879-08-1
• MDL Number: MFCD00051702
• Beilstein Number: 1749234
• PubChem SID: 162060688
• PubChem CID: 220659

CALCULATED PROPERTIES

• Acid pKa: 12.961386
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.6208909
• LogD (pH = 7.4): -1.6183715
• Log P: -1.6183381
• Molar Refractivity: 30.1066 cm^3
• Polarizability: 11.417641 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 91-95°C

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: 97%; 98%