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Basic information
- CAS
5442-24-0- Standard SMILES
Nc1[nH]c(=O)[nH]c(=O)c1N=O- InChIKey
DKPCSXFEWFSECE-UHFFFAOYSA-N- Molecular formula
- C4H4N4O3
- Average molar mass
- 156.1 g/mol
- Monoisotopic mass
- 156.02834
Names & identifiers
- Preferred name
- 6-Amino-5-nitrosouracil
- IUPAC
- 6-amino-5-nitroso-1H-pyrimidine-2,4-dione
- English name
- 4-Amino-2,6-dihydroxy-5-nitrosopyrimidine
- Molecular formula
- C4H4N4O3
- Molecular weight
- 156.1
Names & synonyms
6-Amino-5-nitrosouracilEINECS 226-633-4DTXSID90202819NSC 3101NSC 11446NSC 14287NSC 94946RefChem:540301DTXCID70125310226-633-45442-24-04-Amino-2,6-dihydroxy-5-nitrosopyrimidine
Show more names
(2R,3S,5R)-5-(4-amino-7-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol4-AMINO-5-NITRO-2,6-PYRIMIDINEDIOL5-Nitroso-6-aminopyrimidine-2,4-diol6-Amino-5-nitroso-2,4(1H,3H)-pyrimidinedione4-Amino-2,6-dihydroxy-5-nitrosopyrimidine >2,4(1H,3H)-PyriMidinedione, 6-aMino-5-nitroso-
6-Amino-5-nitroso-1H-pyrimidine-2,4-dione6-amino-5-nitrosopyrimidine-2,4-diol6-amino-5-nitroso-1,2,3,4-tetrahydropyrimidine-2,4-dione6-amino-2,4-dihydroxy-5-nitrosopyrimidineMFCD0001234063884-45-76-amino-5-nitrosopyrimidine-2,4(1H,3H)-dioneNSC677501
Database identifiers
- CAS
5442-24-0、63884-45-7- PubChem CID
- 79510
- DTXSID
DTXSID90202819- ChEBI
CHEBI:189147- EC Number
- 226-633-4
- Nikkaji
- J2.587.806J、J210.481D
Properties
Computed structural propertiesFilling in
- XLogP
- -1.3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Melting point
- 300 °C · >300 °C
- Density
- 2.19 · 2.19±0.1 g/cm3(Predicted)
- pka
- 0.56 · 0.56±0.10(Predicted)
- form
- powder to crystal
- color
- Red to Purple
- CAS DataBase Reference
- 5442 · 5442-24-0(CAS DataBase Reference)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 228 · H228-H315-H319
- Precautionary statements
- 210 · P210-P240-P241-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 1325 · 1325
- WGK Germany
- 3 · 3
- HS Code
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
- wgk
- 3
- ridadr
- 1325
- hs_code
- 2933.59.9500
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 4.1
- packing_group
- III
- Hazard statements
- H228-H315-H319
- Precautionary statements
- P210-P240-P241-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses6-Amino-5-nitrosouracil is used in the preparation of palladium(II) complexes with 5-nitrosopyrimidines which display antiproliferative effects. Useful heterocyclic reagent in the synthesis of substituted purine derivatives displaying anti-thyroid activity.
Upstream & downstream products
Downstream products
Suppliers27 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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