Basic information
- CAS
50902-03-9- Standard SMILES
O=[N+]([O-])C=C1CCCCN1- InChIKey
SKKTZJVNTSSCLS-UHFFFAOYSA-N- Molecular formula
- C6H10N2O2
- Average molar mass
- 142.16 g/mol
- Monoisotopic mass
- 142.07422756
Overview
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)
Names & identifiers
- Preferred name
- 2-Nitromethylene-piperidine
- IUPAC
- 2-(nitromethylidene)piperidine
- English name
- Piperidine, 2-(nitromethylene)- (9CI)
- Molecular formula
- C6H10N2O2
- Molecular weight
- 142.16
Names & synonyms
2-Nitromethylene-piperidine50902-03-9DTXSID00897078RefChem:264341DTXCID501326509(2Z)-2-(nitromethylidene)piperidine2-(nitromethylene)piperidine2-(nitromethylidene)piperidineOprea1_455680SCHEMBL7820589SCHEMBL275815042-nitromethylenetetrahydropyridine
Show more names
Piperidine, 2-(nitromethylene)- (9CI)
Piperidine, 2-(nitromethylene)-SKKTZJVNTSSCLS-UHFFFAOYSA-NDB-288850NS00075375
Database identifiers
- CAS
50902-03-9- PubChem CID
- 768584
- DTXSID
DTXSID00897078
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 160
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
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).
Chemistry & industry
Uses & manufacturing
UsesNitromethylenes are used as pesticides. (T10)
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
2 records
Compound notes
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