Basic information
- CAS
7254-29-7- Standard SMILES
Nc1ncc([N+](=O)[O-])c(=O)[nH]1- InChIKey
XQMCRIHJUALWCL-UHFFFAOYSA-N- Molecular formula
- C4H4N4O3
- Average molar mass
- 156.1 g/mol
- Monoisotopic mass
- 156.02833999
Names & identifiers
- Preferred name
- 2-Amino-5-nitropyrimidin-4(1H)-one
- IUPAC
- 2-amino-5-nitro-1H-pyrimidin-6-one
- English name
- 2-amino-5-nitropyrimidin-4(3H)-one
- Molecular formula
- C4H4N4O3
- Molecular weight
- 156.1
Names & synonyms
2-Amino-5-nitropyrimidin-4(1H)-one7254-29-72-amino-5-nitropyrimidin-4(3h)-one2-amino-5-nitro-1H-pyrimidin-6-one2-Amino-5-nitropyrimidin-4-ol2-amino-4-hydroxy-5-nitropyrimidineMFCD28101777NSC732782-amino-5-nitro-3h-pyrimidin-4-oneSCHEMBL6356246SCHEMBL10871427DTXSID10291124
Show more names
4(1H)-Pyrimidinone, 2-amino-5-nitro-
XQMCRIHJUALWCL-UHFFFAOYSA-NNSC-73278AKOS024262688DS-9620SB57287pyrimidin-4(1H)-one, 2-amino-5-nitro-DB-134602CS-0045808
Database identifiers
- CAS
7254-29-7- PubChem CID
- 252091
- DTXSID
DTXSID10291124
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers14 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
KARMEL TECHNOLOGY (HK) CO.,LIMITED+8618795957998 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海逐耀医药科技有限公司18321033991 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海安米克化学品有限公司微信：18019252918 18019252918 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
南京普锐达医药科技有限公司15905142898 · [email protected]
Related reactions
2 records
Compound notes
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