2-(Nitromethylene)imidazolidine

HCID 3014763CAS 13623-98-8

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Grundinformationen

Standard-SMILES: O=[N+]([O-])C=C1NCCN1
InChIKey: OHXNZFJZRFHBLX-UHFFFAOYSA-N
Summenformel: C4H7N3O2
Durchschnittliche Molmasse: 129,12 g/mol
Monoisotopische Masse: 129,05382646

Überblick

Aromatic heterocycle containing a nitromethylene substituent. Fast acting neurotoxicant, effective both by contact or oral ingestion; they are relatively safe to vertebrates and degrade rapidly in the environment. (T10)

Namen und Bezeichner

Bevorzugter Name: 2-(Nitromethylene)imidazolidine
IUPAC: 2-(nitromethylidene)imidazolidine

Namen und Synonyme

2-(Nitromethylene)imidazolidine2-(nitromethylidene)imidazolidineImidazolidine, 2-(nitromethylene)-DTXSID501597392-{nitromethylene}imidazolidineRefChem:254449DTXCID008223013623-98-8MFCD056707132-NitromethyleneimidazolidineNitromethyleneimidazolidinenitromethylene imidazolidine

Weitere Namen anzeigen

SCHEMBL2069003CHEMBL2251224OHXNZFJZRFHBLX-UHFFFAOYSA-NAKOS006347236AKOS015994327NS00126570H66337AP-782/41885229

Datenbank-Bezeichner

CAS: 13623-98-8
PubChem CID: 3014763
DTXSID: DTXSID50159739
ChEMBL: CHEMBL2251224
Nikkaji: J329.722E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 69,9 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 140

Sicherheit und Regulatorisches

Toxikologische Informationen

Health EffectsNitromethylenes are neurotoxic. (T10)

Toxicity SummaryActs as a neurotransmitter mimic , having both excitatory and depressant effects, eventually blocking postsynaptic nicotinic receptors. (T10)

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).