Basic information
- CAS
32014-70-3- Standard SMILES
Nc1[nH]c(=O)[nH]c(=O)c1N.O=S(=O)(O)O- InChIKey
IKARJSDZQCSEJX-UHFFFAOYSA-N- Molecular formula
- C4H8N4O6S
- Average molar mass
- 240.2 g/mol
- Monoisotopic mass
- 240.01645516
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-, sulfate (1:1)
- IUPAC
- 5,6-diamino-1H-pyrimidine-2,4-dione;sulfuric acid
- English name
- 5,6-Diamino-2,4-dihydroxypyrimidine sulfate
- Molecular formula
- C4H8N4O6S
- Molecular weight
- 240.19
Names & synonyms
2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-, sulfate (1:1)DTXSID90885883RefChem:442674DTXCID80102524132014-70-35,6-Diaminopyrimidine-2,4-diol sulfate5,6-Diamino-2,4-dihydroxypyrimidine sulfate5,6-Diaminouracil sulfate5,6-Diaminopyrimidine-2,4(1H,3H)-dione sulfate5,6-Diaminopyrimidine-2,4-diol xsulfate5,6-diamino-1H-pyrimidine-2,4-dione;sulfuric acid5,6-Diaminouracil sulphate
Show more names
4,5-Diamino-2,6-dihydropyrimidine4,5-DIAMINO-2,6-DIHYDROXYPYRIMIDINE5,6-DIAMINO-2,4-DIHYDROXYPYRIMIDINE4,5-DIAMINOURACIL SULFATE5,6-Diaminouracil sulfate 95%5,6-diaMino-2,4-pyriMidinediolbis(5,6-diaminouracil) sulphate5,6-Diaminouracil sulfate salt
diaminopyrimidine-2,4-diol; sulfuric acid4,5-Diamino-2,6-dihydroxypyrimidine sulfate5,6-Diaminopyrimidine-2,4-diol sulfate (1:x)MFCD001358455,6-Diamino-2,4-pyrimidinediol SulfateNSC2642895,6-Diaminopyrimidine-2,4(1H,3H)-dionesulfateC4H8N4O6S
Properties
Computed structural properties
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Melting point
- 260 °C · >260 °C (dec.)(lit.)
- form
- powder
- BRN
- 3781587 · 3781587
- InChI
- 1S/C4H6N4O2.H2O4S/c5-1-2(6)7-4(10)8-3(1)9;1-5(2,3)4/h5H2,(H4,6,7,8,9,10);(H2,1,2,3,4)
- InChIKey
- IKARJSDZQCSEJX-UHFFFAOYSA-N
- SMILES
- OS(O)(=O)=O.Nc1nc(O)nc(O)c1N
- CAS DataBase Reference
- 32014 · 32014-70-3(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- YQ9625000
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H314
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
Uses5,6-Diaminouracil sulfate is an intermediate in the synthesis of Paraxanthine (P192500) and Paraxanthine analogs.
Upstream & downstream products
Upstream raw materials
Suppliers70 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…