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52502-66-6

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Basic Information
CAS No.: 52502-66-6
Name: 4,5-DIAMINO-6-HYDROXYPYRIMIDINE SULFATE
Molecular Structure:
Molecular Structure of 52502-66-6 (4,5-DIAMINO-6-HYDROXYPYRIMIDINE SULFATE)
Formula: C4H8N4O5S
Molecular Weight: 224.2
Synonyms: 4,5-Diamino-6-hydroxypyrimidine sulfate;4-Oxo-1H-pyrimidin-5,6-diammonium sulphate;4(1H)-Pyrimidinone, 5,6-diamino-, sulfate (1:1);5,6-Diamino-4(1H)-pyrimidinone sulfate (1:1);
EINECS: 257-971-0
Melting Point: 270ºC
Boiling Point: 221.5 °C at 760 mmHg
Flash Point: 87.8 °C
Appearance: Beige fine crystalline powder
PSA: 181.03000
LogP: 0.93700
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Chemistry

Molecular Structure of 4(3H)-Pyrimidinone, 5,6-diamino-, sulfate (1:1) (CAS NO.52502-66-6):

IUPAC Name: 5,6-Diamino-1H-pyrimidin-4-one;  sulfuric acid 
Empirical Formula: C4H8N4O5S
Molecular Weight: 224.1951
H-Bond Donor: 5
H-Bond Acceptor: 8 
EINECS: 257-971-0 
Tautomer Count: 15
Exact Mass: 224.02154
MonoIsotopic Mass: 224.02154
Topological Polar Surface Area: 177
Heavy Atom Count: 14
Complexity: 286
Flash Point: 87.8 °C
Enthalpy of Vaporization: 45.8 kJ/mol
Boiling Point: 221.5 °C at 760 mmHg
Vapour Pressure: 0.107 mmHg at 25 °C
Appearance: Beige fine crystalline powder
Canonical SMILES: C1=NC(=O)C(=C(N1)N)N.OS(=O)(=O)O
InChI: InChI=1S/C4H6N4O.H2O4S/c5-2-3(6)7-1-8-4(2)9; 1-5(2,3)4/h1H,5H2,(H3,6,7,8,9); (H2,1,2,3,4)
InChIKey: CQUAZAWBPBKNBW-UHFFFAOYSA-N 
Product Categories: APIs & Intermediate; Pyrimidine; Pyridines, Pyrimidines, Purines and Pteredines; Pyrimidine series

Specification

 4(3H)-Pyrimidinone, 5,6-diamino-, sulfate (1:1) (CAS NO.52502-66-6), its Synonyms are 4,5-Diamino-6-hydroxypyrimidine sulfate ; 5,6-Diamino-4(1H)-pyrimidinone sulfate (1:1) ; 4(1H)-Pyrimidinone, 5,6-diamino-, sulfate (1:1) ; 4-Oxo-1H-pyrimidin-5,6-diammonium sulphate .