pentanehydrazide

• ChemBase ID: 27108
• Molecular Formular: C5H12N2O
• Molecular Mass: 116.16158
• Monoisotopic Mass: 116.09496301
• SMILES: C(=O)(NN)CCCC
• Canonical SMILES: CCCCC(=O)NN
• InChI: InChI=1S/C5H12N2O/c1-2-3-4-5(8)7-6/h2-4,6H2,1H3,(H,7,8)
• InChIKey: PJBQYCIDGYKEMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentanehydrazide
• IUPAC Traditional name: valeric acid hydrazide
• Synonyms: Pentanohydrazide; pentanehydrazide; Pentanoic acid hydrazide; Valeric acid hydrazide; 戊酸肼

Database IDs

• CAS Number: 38291-82-6
• EC Number: 253-864-8
• MDL Number: MFCD00025137
• Beilstein Number: 1744747
• PubChem SID: 160990415
• PubChem CID: 93202

CALCULATED PROPERTIES

• Acid pKa: 13.455633
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.2603557
• LogD (pH = 7.4): 0.26287654
• Log P: 0.26290914
• Molar Refractivity: 32.7789 cm^3
• Polarizability: 12.581209 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 55-64°C; 64 - 66°C
• Hydrophobicity(logP): -0.037

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%; 95+%