CAS 3659-97-0 1-Methylimidazolidine-2,4,5-trione (HCID 123196)

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Basic information

CAS: 3659-97-0
Standard SMILES: CN1C(=O)NC(=O)C1=O
InChIKey: MJJCZWPYKMGQHU-UHFFFAOYSA-N
Molecular formula: C4H4N2O3
Average molar mass: 128.09 g/mol
Monoisotopic mass: 128.02219199

Overview

Methylparabanic acid is a member of imidazolidines.

Names & identifiers

Preferred name: 1-Methylimidazolidine-2,4,5-trione
IUPAC: 1-methylimidazolidine-2,4,5-trione
English name: 1-Methylparabanic acid
Molecular formula: C4H4N2O3
Molecular weight: 128.09

Names & synonyms

1-methylimidazolidine-2,4,5-trione1-Methyl-2,4,5-imidazolidinetrioneRefChem:434630874-484-43659-97-0Methylparabanic acid1-Methylparabanic acidImidazolidinetrione, methyl-N-Methylparabanic acidMFCD004570471-Methyl-2,4,5-trioxoimidazolidine1-methylimidazolidinetrione

Show more names

2,4,5-Imidazolidinetrione, 1-methyl-

MethylparabansaureN-MethylimidazolidinetrioneCHEBI:6886SCHEMBL1609527SCHEMBL2728471SCHEMBL6552008DTXSID001900761-Methyl-imidazolidine-2,4,5-trione

Database identifiers

CAS: 3659-97-0
PubChem CID: 123196
DTXSID: DTXSID00190076
ChEBI: CHEBI:6886
EC Number: 874-484-4
Nikkaji: J284.219J

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 66.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 198

Physicochemical properties

storage temp.: 2 · 2-8°C
form: solid
InChI: 1S/C4H4N2O3/c1-6-3(8)2(7)5-4(6)9/h1H3,(H,5,7,9)
InChIKey: MJJCZWPYKMGQHU-UHFFFAOYSA-N
SMILES: O=C(NC1=O)N(C)C1=O
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P305+P351+P338-P310
Hazard Codes: Xi
Risk Statements: 36 · 36
Safety Statements: 26 · 26
WGK Germany: 3 · WGK 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 · Eye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.