Basic information
- CAS
726-88-5- Standard SMILES
CC1(c2ccccc2)NC(=O)N(CC(=O)O)C1=O- InChIKey
HUTGHTWQKNQAIP-UHFFFAOYSA-N- Molecular formula
- C12H12N2O4
- Average molar mass
- 248.23 g/mol
- Monoisotopic mass
- 248.07970687
Names & identifiers
- Preferred name
- 2-(4-Methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetic acid
- IUPAC
- 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetic acid
- English name
- (4-Methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetic acid
- Molecular formula
- C12H12N2O4
- Molecular weight
- 248.23
Names & synonyms
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetic acidRefChem:458029859-813-1726-88-5(4-Methyl-2,5-dioxo-4-phenyl-imidazolidin-1-yl)-acetic acidMFCD06655093(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetic acid2-(4-methyl-2,5-dioxo-4-phenyl-1,3-diazolidinyl)acetic acid1-Imidazolidineaceticacid, 4-methyl-2,5-dioxo-4-phenyl-SCHEMBL17622984DTXSID70393279SBB085324
Show more names
5-Methyl-5-phenyl-3-hydantoinyl acetic acid4-Methyl-2,5-dioxo-4-phenyl-1-imidazolidineacetic acid
AKOS000303130AKOS016046677AS-43698SY139186CS-0230964ST50321500EN300-10639F649572
Database identifiers
- CAS
726-88-5- PubChem CID
- 3522017
- DTXSID
DTXSID70393279
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Melting point
- 170.5 · 170.5-171.5 °C
- Density
- 1.351 · 1.351±0.06 g/cm3(Predicted)
- pka
- 3.75 · 3.75±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H319-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H335-H319-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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