Pyridine, 1,2,3,4-tetrahydro-1-nitroso-
Basic information
- CAS
70501-82-5- Standard SMILES
O=NN1C=CCCC1- InChIKey
GNLQCVFNPAAINE-UHFFFAOYSA-N- Molecular formula
- C5H8N2O
- Average molar mass
- 112.13 g/mol
- Monoisotopic mass
- 112.06366288
Names & identifiers
- Preferred name
- Pyridine, 1,2,3,4-tetrahydro-1-nitroso-
- IUPAC
- 1-nitroso-3,4-dihydro-2H-pyridine
- English name
- Nitrosotetrahydropyridine
- Molecular formula
- C5H8N2O
- Molecular weight
- 112.13
Names & synonyms
1-Nitroso-1,2,3,4-tetrahydropyridinePyridine, 1,2,3,4-tetrahydro-1-nitroso-BRN 1617519N-Nitroso-delta(sup 2)-piperidineN-Nitroso-1,2,3,4-tetrahydropyridineN-Nitroso-delta(sup 2)-tetrahydropyridine70501-82-5DTXSID702207735-20-04-00281 (Beilstein Handbook Reference)RefChem:376431DTXCID00143264nitrosotetrahydropyridine
Show more names
CHEMBL349387
Database identifiers
- CAS
70501-82-5- PubChem CID
- 153167
- DTXSID
DTXSID70220773- ChEMBL
CHEMBL349387- Nikkaji
- J85.733E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Boiling point
- 210.05 °C · 210.05°C (rough estimate)
- Density
- 1.1524 · 1.1524 (rough estimate)
- refractive index
- 1.473 · 1.4730 (estimate)
- pka
- -5.477 · -5.477±0.20(predicted)
- Toxicity
- 25 mg/plate · mmo-sat 25 mg/plate TCMUE9 1,13,84
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- mmo-sat 25 mg/plate TCMUE9 1,13,84
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Compound notes
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