2,6-Diamino-3-nitrosopyridine
Basic information
- CAS
89323-10-4- Standard SMILES
Nc1ccc(N=O)c(N)n1- InChIKey
ZURVYWKHGDMWJI-UHFFFAOYSA-N- Molecular formula
- C5H6N4O
- Average molar mass
- 138.13 g/mol
- Monoisotopic mass
- 138.05416083
Overview
RN given from Toxline; RN not in Chemline 9/85; structure given in first source
Names & identifiers
- Preferred name
- 2,6-Diamino-3-nitrosopyridine
- IUPAC
- 3-nitrosopyridine-2,6-diamine
- English name
- 2,6-DIAMINO-3-NITROSOPYRIDINE
- Molecular formula
- C5H6N4O
- Molecular weight
- 138.13
Names & synonyms
89323-10-42,6-Diamino-3-nitrosopyridine9EF6M609BKNSC-263770DTXSID40237616RefChem:83111DTXCID901601073-nitrosopyridine-2,6-diamine3-Nitroso-2,6-pyridinediamineNSC263770Pyridine, 2,6-diamino-3-nitroso-NSC 263770
Show more names
2,6-Diamino-3-nitrosopyrimidine(6-amino-3-nitroso-2-pyridyl)amine2,6-DIAMINO-3-NITROSOPYRIDINE ISO 9001：2015 REACH
Telmisartan Impurity N4UNII-9EF6M609BKSCHEMBL31647012,6-diamino-3-nitroso-pyridineZURVYWKHGDMWJI-UHFFFAOYSA-N2,6-Pyridinediamine, 3-nitroso-3-Nitroso-2,6-pyridinediamine #MFCD00047439
Database identifiers
- CAS
89323-10-4- PubChem CID
- 99676
- DTXSID
DTXSID40237616- UNII
- 9EF6M609BK
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 94.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Melting point
- 260 · 260-266 °C
- Boiling point
- 253.51 °C · 253.51°C (rough estimate)
- Density
- 1.3577 · 1.3577 (rough estimate)
- refractive index
- 1.83 · 1.8300 (estimate)
- pka
- 2.57 · 2.57±0.50(Predicted)
- FDA UNII
- 9 EF6M609BK · 9EF6M609BK
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39-26-36
- HazardClass
- IRRITANT
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
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26-36
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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