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698-29-3

698-29-3 Structure

698-29-3 Structure
IdentificationMore
[Name]

4-AMINO-2-METHYLPYRIMIDINE-5-CARBONITRILE
[CAS]

698-29-3
[Synonyms]

4-AMINO-2-METHYLPYRIMIDINE-5-CARBONITRILE
4-AMINO-5-CYANO-2-METHYLPYRIMIDINE
BUTTPARK 27\08-63
5-Pyrimidinecarbonitrile, 4-amino-2-methyl-(6CI,7CI,8CI,9CI)
2-Methyl-4-aminopyrimidine-5-carbonitrile
[EINECS(EC#)]

211-814-2
[Molecular Formula]

C6H6N4
[MDL Number]

MFCD00084875
[Molecular Weight]

134.14
[MOL File]

698-29-3.mol
Chemical PropertiesBack Directory
[Appearance]

Pale-Yellow Crystalline Solid
[Melting point ]

249 °C
[Boiling point ]

315.6±27.0 °C(Predicted)
[density ]

1.27±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[solubility ]

DMSO, Ethanol, Methanol
[form ]

Powder
[pka]

3.00±0.10(Predicted)
[color ]

Pale yellow
[Water Solubility ]

Slightly soluble in water (6.4 g/L at 25°C). Soluble in dimethyl sulfoxide, ethanol and methanol.
[InChI]

InChI=1S/C6H6N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,1H3,(H2,8,9,10)
[InChIKey]

YBPNIILOUYAGIF-UHFFFAOYSA-N
[SMILES]

C1(C)=NC=C(C#N)C(N)=N1
[CAS DataBase Reference]

698-29-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

22-37/38-41
[Safety Statements ]

26-39
[Hazard Note ]

Irritant
[HazardClass ]

6.1
[HazardClass ]

IRRITANT
[HS Code ]

2933599590
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium-->Acetamidine hydrochloride-->Ethoxymethylenemalononitrile-->Propanedinitrile, 2-[(acetyloxy)methylene]--->5-Pyrimidinecarbonitrile, 6-amino-1,4-dihydro-2-methyl--->Propanedinitrile, 2-[(diethylamino)methylene]--->(aminomethylene)malononitrile-->(DIMETHYLAMINOMETHYLENE)MALONONITRILE-->Acetamidine Base-->(methoxymethylene)malononitrile-->METHYL ACETIMIDATE HYDROCHLORIDE-->Formaldehyde
[Preparation Products]

5-Pyrimidinecarboxaldehyde, 4-amino-2-methyl- (6CI,7CI,8CI,9CI)-->4-Pyrimidinamine, 2-methyl- (9CI)
Hazard InformationBack Directory
[Chemical Properties]

Pale-Yellow Crystalline Solid
[Uses]

4-Amino-5-cyano-2-methylpyrimidine is used as a pharmaceutical intermediate.
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-amino-2-methylpyrimidine-5-carbonitrile(698-29-3)
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