ChemicalBook--->CAS DataBase List--->69785-94-0

69785-94-0

69785-94-0 Structure

69785-94-0 Structure
IdentificationBack Directory
[Name]

4(1H)-Pyrimidinone, 5-amino- (9CI)
[CAS]

69785-94-0
[Synonyms]

5-aMinopyriMidin-4-o
5-aMinopyriMidin-4-ol
5-Amino-4-pyrimidinol
5-aminopyrimidin-4(1H)-one
5-amino-1H-pyrimidin-6-one
5-AMinopyriMidin-4(3H)-one
5-Amino-4(3H)-pyrimidinone
5-Amino-4(1H)-pyrimidinone
5-AMino-4-hydroxypyriMidine
4(1H)-PyriMidinone, 5-aMino-
4(3H)-Pyrimidinone, 5-amino-
4(1H)-Pyrimidinone, 5-amino- (9CI)
5-Aminopyrimidin-4(3H)-one hydrochloride
[Molecular Formula]

C4H5N3O
[MDL Number]

MFCD11574230
[MOL File]

69785-94-0.mol
[Molecular Weight]

111.1
Chemical PropertiesBack Directory
[Melting point ]

206-208 °C
[density ]

1.55±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[pka]

8.89±0.40(Predicted)
[InChI]

InChI=1S/C4H5N3O/c5-3-1-6-2-7-4(3)8/h1-2H,5H2,(H,6,7,8)
[InChIKey]

XWLBYEBHQNSCKA-UHFFFAOYSA-N
[SMILES]

C1=NC=C(N)C(=O)N1
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
[HS Code ]

2933599590
Hazard InformationBack Directory
[Uses]

5-Aminopyrimidin-4-ol is used as a reactant in the synthesis of thrombin inhibitors using analogs of MD805 containing non-polar surrogates for arginine at P1 position.
Spectrum DetailBack Directory
[Spectrum Detail]

4(1H)-Pyrimidinone, 5-amino- (9CI)(69785-94-0)1HNMR
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