2-(Nitromethylene)imidazolidine

HCID 3014763CAS 13623-98-8

기본 정보

표준 SMILES: O=[N+]([O-])C=C1NCCN1
InChIKey: OHXNZFJZRFHBLX-UHFFFAOYSA-N
분자식: C4H7N3O2
평균 분자량: 129.12 g/mol
단동위원소 질량: 129.05382646

개요

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)

이름 및 식별자

우선 이름: 2-(Nitromethylene)imidazolidine
IUPAC: 2-(nitromethylidene)imidazolidine

이름 및 동의어

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

이름 더 보기

SCHEMBL2069003CHEMBL2251224OHXNZFJZRFHBLX-UHFFFAOYSA-NAKOS006347236AKOS015994327NS00126570H66337AP-782/41885229

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 69.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 140

안전 및 규제

독성 정보

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).