5-(Propan-2-Ylidene)Imidazolidine-2,4-Dione

HCID 336450

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Basic information

CAS: 7526-77-4
Standard SMILES: CC(C)=C1NC(=O)NC1=O
InChIKey: GHKHZJHMIBYCPG-UHFFFAOYSA-N
Molecular formula: C6H8N2O2
Average molar mass: 140.14 g/mol
Monoisotopic mass: 140.0585775

Names & identifiers

Preferred name: 5-(Propan-2-Ylidene)Imidazolidine-2,4-Dione
IUPAC: 5-propan-2-ylideneimidazolidine-2,4-dione
English name: TIMTEC-BB SBB005357
Molecular formula: C6H8N2O2
Molecular weight: 140.14

Names & synonyms

5-(Propan-2-ylidene)imidazolidine-2,4-dioneRefChem:531577108-766-97526-77-45-iso-propylidenehydantoin5-(1-Methylethylidene)hydantoin5-(methylethylidene)-1,3-diazolidine-2,4-dione5-IsopropylidenehydantoinNSC350994Hydantoin Impurity C17Timtec-Bb Sbb005357SCHEMBL10534653

Show more names

Hydantoin Impurity 28Ketovalerian impurity C

DTXSID10319812GHKHZJHMIBYCPG-UHFFFAOYSA-NSBB005357AKOS003404930NSC-350994ST0574755-(1-methylethylidene)imidazolidine-2,4-dione

Database identifiers

CAS: 7526-77-4
PubChem CID: 336450
DTXSID: DTXSID10319812
EC Number: 108-766-9
Nikkaji: J26.495D

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 58.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 226

Physicochemical properties

Risk Statements: 43 · 43
Safety Statements: 36 · 36/37

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, 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

risk_code: 43
safety_code: 36/37

Chemistry & industry

Applications

Uses5-(1-Methylethylidene)hydantoin can be used in the synthesis of valine. It has also been found to have potential as slow-release nitrogen fertilizer.