Basic information
- CAS
36966-84-4- Standard SMILES
O=NNc1ccccc1- InChIKey
KOOMFXGDLMRWSN-UHFFFAOYSA-N- Molecular formula
- C6H6N2O
- Average molar mass
- 122.12 g/mol
- Monoisotopic mass
- 122.04801282
Names & identifiers
- Preferred name
- Nitrous amide, N-phenyl-
- IUPAC
- N-phenylnitrous amide
- English name
- Celecoxib Impurity 22
- Molecular formula
- C6H6N2O
- Molecular weight
- 122.12
Names & synonyms
N-phenylnitrous Amide36966-84-4Nitrous amide, N-phenyl-DTXSID70190462RefChem:365747DTXCID80112953N-nitrosoanilineBenzenamine, N-nitroso-nitrosoanilineOxyazobenzolN-Nitroso-benzenamine(E)-Hydroxyphenyl-diazene
Show more names
Celecoxib Impurity 64
(Z)-Hydroxyphenyl-diazene92184-37-7SCHEMBL143319SCHEMBL2952440SCHEMBL2952442SCHEMBL7808906SCHEMBL8758468(E)-1-Hydroxy-2-phenyldiazene
Database identifiers
- CAS
36966-84-4- PubChem CID
- 181501
- DTXSID
DTXSID70190462- Nikkaji
- J569.892H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 89.1
Physicochemical properties
- Boiling point
- 181.3 · 181.3±23.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- -2.04 · -2.04±0.38(Predicted)
Chemistry & industry
Suppliers13 total
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
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Related reactions
1 records
Compound notes
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