Nisobamate

Base Information

• Chemical Name: Nisobamate
• CAS No.: 25269-04-9
• Deprecated CAS: 23256-04-4,25385-08-4
• Molecular Formula: C13H26 N2 O4
• Molecular Weight: 274.3565
• UNII: 47OD817EW2
• DSSTox Substance ID: DTXSID30865200
• Nikkaji Number: J20.376I
• Wikipedia: Nisobamate
• Wikidata: Q7040869
• NCI Thesaurus Code: C98238
• ChEMBL ID: CHEMBL2106824
• Mol file: 25269-04-9.mol

Synonyms:2-sec-butyl-N-isopropyl-2-methyl-1,3-propanediol dicarbamate;nisobamate;W 1015

Chemical Property of Nisobamate

Chemical Property:

• Vapor Pressure: 1.39E-07mmHg at 25°C
• Melting Point: 78-80 °C
• Boiling Point: 429.5°Cat760mmHg
• PKA: 12.47±0.46(Predicted)
• Flash Point: 213.6°C
• PSA: 90.65000
• Density: 1.041g/cm³
• LogP: 3.35990
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 274.18925731
• Heavy Atom Count: 19
• Complexity: 307

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(C)(COC(=O)N)COC(=O)NC(C)C
• Uses: Tranquilizer (minor); sedative-hypnotic.

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