Basic information
- CAS
111943-19-2- Standard SMILES
N=c1ncccn1O- InChIKey
FLUYWGLRWSFUGE-UHFFFAOYSA-N- Molecular formula
- C4H5N3O
- Average molar mass
- 111.1 g/mol
- Monoisotopic mass
- 111.04326179
Names & identifiers
- Preferred name
- (2e)-2-Iminopyrimidin-1(2h)-ol
- IUPAC
- 1-hydroxypyrimidin-2-imine
- English name
- 2-Pyrimidinamine, 1-oxide (9CI)
- Molecular formula
- C4H5N3O
- Molecular weight
- 111.1
Names & synonyms
(2e)-2-iminopyrimidin-1(2h)-ol1-hydroxypyrimidin-2-imine35034-15-2111943-19-2NSC1322912-aminopyrimidine-N-oxide2-Iminopyrimidin-1(2H)-olSCHEMBL3166019SCHEMBL3763774SCHEMBL11724456DTXSID60299716NSC-132291
Show more names
2-Pyrimidinamine, 1-oxide2-aminopyrimidine N-oxide2-Aminopyrimidine 1-oxide2-Pyrimidinamine, 1-oxide (9CI)
Database identifiers
- CAS
111943-19-2、35034-15-2- PubChem CID
- 280546
- DTXSID
DTXSID60299716- Nikkaji
- J47.781H
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 193 °C · 193 °C(Solv: ethanol (64-17-5); ethyl ether (60-29-7))
- Boiling point
- 348.1 · 348.1±25.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 2.31 · 2.31±0.36(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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