Basic information
- CAS
80466-56-4- Standard SMILES
Nc1nc(O)c([N+](=O)[O-])c(=O)[nH]1- InChIKey
ZEBYRLPUWQNZNY-UHFFFAOYSA-N- Molecular formula
- C4H4N4O4
- Average molar mass
- 172.1 g/mol
- Monoisotopic mass
- 172.02325462
Names & identifiers
- Preferred name
- 2-Amino-4,6-dihydroxy-5-nitropyrimidine
- IUPAC
- 2-amino-4-hydroxy-5-nitro-1H-pyrimidin-6-one
- English name
- 2-Amino-4,6-dihydroxy-5-nitropyrimidine
- Molecular formula
- C4H4N4O4
- Molecular weight
- 172.1
Names & synonyms
80466-56-42-Amino-4,6-dihydroxy-5-nitropyrimidineDTXSID00336851RefChem:255455DTXCID402879392-amino-5-nitropyrimidine-4,6-diol2-amino-4-hydroxy-5-nitro-1H-pyrimidin-6-oneMFCD000828012-amino-6-hydroxy-5-nitropyrimidin-4(3H)-oneSCHEMBL6480654ZEBYRLPUWQNZNY-UHFFFAOYSA-NAKOS006344936
Show more names
2-AMino-5-nitro-4,6-pyriMidinediol2-AMINO-5-NITRO-PYRIMIDINE-4,6-DIOL2-AMino-6-hydroxy-5-nitro-4(3H)-pyriMidinone4(1H)-PYRIMIDINONE, 2-AMINO-6-HYDROXY-5-NITRO-4(3H)-PyriMidinone, 2-aMino-6-hydroxy-5-nitro-2-AMINO-5-NITRO-3,4,5,6-TETRAHYDROPYRIMIDINE-4,6-DIONE2-AMINO-4,6-DIHYDROXY-5-NITROPYRIMIDINE ISO 9001：2015 REACH2-Amino-4,6-dihydroxy-5-nitropyrimidine, 2-Amino-4,6-dihydroxy-5-nitro-1,3-diazine
SB57297AS-11861DB-020412CS-01500292-Amino-6-hydroxy-5-nitro-4(3H)-pyrimidinone #Pyrimidin-4(3H)-one, 2-amino-6-hydroxy-5-nitro-
Database identifiers
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Melting point
- 400 °C · >400°C
- Density
- 2.3 · 2.30±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Readily Soluble in Aqueous Potassium Hydroxide
- form
- Solid
- pka
- 2.69 · 2.69±0.10(Predicted)
- color
- Yellow-Green
- CAS DataBase Reference
- 80466 · 80466-56-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2933599590 · 2933599590
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
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280
Chemistry & industry
Suppliers34 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
越林试剂021-62960152 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
苏州络森生物科技有限公司0512-87888687 13626191410 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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