2-(Nitromethylene)imidazolidine

HCID 3014763

基本情報

CAS: 13623-98-8
標準SMILES: O=[N+]([O-])C=C1NCCN1
InChIKey: OHXNZFJZRFHBLX-UHFFFAOYSA-N
分子式: C4H7N3O2
平均分子量: 129.12 g/mol
単同位体質量: 129.05382646

概要

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)

名称と識別子

優先名称: 2-(Nitromethylene)imidazolidine
IUPAC: 2-(nitromethylidene)imidazolidine

名称と別名

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

名称をさらに表示

SCHEMBL2069003CHEMBL2251224OHXNZFJZRFHBLX-UHFFFAOYSA-NAKOS006347236AKOS015994327NS00126570H66337AP-782/41885229

データベース識別子

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

物性

構造計算による物性

XLogP: 0.3
極性表面積: 69.9 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 140

安全と法規制

毒性情報

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).