butanediamide

• ChemBase ID: 109170
• Molecular Formular: C4H8N2O2
• Molecular Mass: 116.11852
• Monoisotopic Mass: 116.05857751
• SMILES: NC(=O)CCC(=O)N
• Canonical SMILES: NC(=O)CCC(=O)N
• InChI: InChI=1S/C4H8N2O2/c5-3(7)1-2-4(6)8/h1-2H2,(H2,5,7)(H2,6,8)
• InChIKey: SNCZNSNPXMPCGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butanediamide
• IUPAC Traditional name: succinamide
• Synonyms: SUCCINAMIDE; Succinic diamide; Succinamide; butanediamide; Butanedioic acid diamide; 丁二酰胺; 琥珀酰胺; 丁二酰胺

Database IDs

• CAS Number: 110-14-5
• EC Number: 203-739-9
• MDL Number: MFCD00008042
• Beilstein Number: 1753983
• Merck Index: 148866
• PubChem SID: 162096093; 24847626
• PubChem CID: 8036

CALCULATED PROPERTIES

• Acid pKa: 15.873727
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.0123682
• LogD (pH = 7.4): -2.0123682
• Log P: -2.0123682
• Molar Refractivity: 27.1814 cm^3
• Polarizability: 10.616618 Å^3
• Polar Surface Area: 86.18 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 260-265 °C (dec.)(lit.); 265 - 267°C; ca 263°C dec.
• Hydrophobicity(logP): -1.887

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 43
• Safety Statements: 26-37; 36/37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H317
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ≥98.0% (N); 95%; 97%; 98%
• Grade: purum
• Ignition Residue: ≤0.1%
• Linear Formula: NH2COCH2CH2CONH2

DETAILS

MP Biomedicals - 05210090

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 124753

Packaging
100 g in glass bottle