Basic information
- CAS
28538-67-2- Standard SMILES
Cn1[nH]c(=O)n(-c2ccccc2)c1=O- InChIKey
RJNRHWZMHWQLBU-UHFFFAOYSA-N- Molecular formula
- C9H9N3O2
- Average molar mass
- 191.19 g/mol
- Monoisotopic mass
- 191.06947654
Names & identifiers
- Preferred name
- 1-Methyl-4-phenyl-1,2,4-triazolidine-3,5-dione
- IUPAC
- 1-methyl-4-phenyl-1,2,4-triazolidine-3,5-dione
- English name
- 1,2,4-Triazolidine-3,5-dione, 1-methyl-4-phenyl-
- Molecular formula
- C9H9N3O2
- Molecular weight
- 191.19
Names & synonyms
1-methyl-4-phenyl-1,2,4-triazolidine-3,5-dione28538-67-2Bicarbamimide, 2-methyl-N-phenyl-1,2,4-Triazolidine-3,5-dione, 1-methyl-4-phenyl-4-phenyl-1-methyl urazoleSCHEMBL5326615DTXSID00182759RJNRHWZMHWQLBU-UHFFFAOYSA-NALBB-035579AKOS040766764G82638F555693
Database identifiers
- CAS
28538-67-2- PubChem CID
- 178249
- DTXSID
DTXSID00182759- Nikkaji
- J345.994B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Density
- 1.327 · 1.327±0.06 g/cm3(Predicted)
- pka
- 4.81 · 4.81±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
北京迈瑞达科技有限公司010-82387566 18001021521 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
Related reactions
2 records
Compound notes
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