propanedihydrazide

• ChemBase ID: 7864
• Molecular Formular: C3H8N4O2
• Molecular Mass: 132.12122
• Monoisotopic Mass: 132.06472552
• SMILES: C(=O)(CC(=O)NN)NN
• Canonical SMILES: NNC(=O)CC(=O)NN
• InChI: InChI=1S/C3H8N4O2/c4-6-2(8)1-3(9)7-5/h1,4-5H2,(H,6,8)(H,7,9)
• InChIKey: PSIKPHJLTVSQFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propanedihydrazide
• IUPAC Traditional name: propanedioic acid, dihydrazide
• Synonyms: MALONYL DIHYDRAZIDE; Malonic acid dihydrazide; Malonic acid dihydrazide; 马来酸二酰肼

Database IDs

• CAS Number: 3815-86-9
• EC Number: 000-000-0
• MDL Number: MFCD00041268
• Beilstein Number: 1072337
• PubChem SID: 160971171
• PubChem CID: 77433

CALCULATED PROPERTIES

• Acid pKa: 11.924015
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -2.5410616
• LogD (pH = 7.4): -2.5380056
• Log P: -2.5379539
• Molar Refractivity: 31.6004 cm^3
• Polarizability: 11.675339 Å^3
• Polar Surface Area: 110.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 152-156°C; 157-159°C

Safety Information

• Storage Warning: IRRITANT
• RTECS: OO8000000
• 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: 99%

DETAILS

MP Biomedicals - 05224523

MP Biomedicals Rare Chemical collection