propanehydrazide

• ChemBase ID: 27339
• Molecular Formular: C3H8N2O
• Molecular Mass: 88.10842
• Monoisotopic Mass: 88.06366289
• SMILES: C(=O)(NN)CC
• Canonical SMILES: CCC(=O)NN
• InChI: InChI=1S/C3H8N2O/c1-2-3(6)5-4/h2,4H2,1H3,(H,5,6)
• InChIKey: DXGIRFAFSFKYCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propanehydrazide
• IUPAC Traditional name: propionic acid hydrazide
• Synonyms: Propanohydrazide; Propionic acid hydrazide; Propanoic acid hydrazide; Propanoic hydrazide; Propionylhydrazine; Propanoic acid hydrazide; 丙酸肼

Database IDs

• CAS Number: 5818-15-5
• EC Number: 227-390-7
• MDL Number: MFCD01333200
• PubChem SID: 160990646
• PubChem CID: 79890

CALCULATED PROPERTIES

• Acid pKa: 13.287114
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.6287844
• LogD (pH = 7.4): -0.62626106
• Log P: -0.62622815
• Molar Refractivity: 23.5769 cm^3
• Polarizability: 8.916528 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 24 - 26°C
• Hydrophobicity(logP): -1.095

Safety Information

• Storage Warning: IRRITANT
• RTECS: UF4230000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 25-36/37/38
• Safety Statements: 26-45
• TSCA Listed: false
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: ≥90% (GC); 95%
• Empirical Formula (Hill Notation): C3H8N2O

DETAILS

Sigma Aldrich - 671460

Packaging
1 g in glass bottle