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5,6-Dimethylpyrazin-2-amine

HCID 222763
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Basic information

CAS
6294-70-8
Standard SMILES
Cc1ncc(N)nc1C
InChIKey
JTPCVJQUFYRJES-UHFFFAOYSA-N
Molecular formula
C6H9N3
Average molar mass
123.16 g/mol
Monoisotopic mass
123.0796473

Names & identifiers

Preferred name
5,6-Dimethylpyrazin-2-amine
IUPAC
5,6-dimethylpyrazin-2-amine
English name
5,6-Dimethylpyrazin-2-amine
Molecular formula
C6H9N3
Molecular weight
123.16

Names & synonyms

5,6-dimethylpyrazin-2-amine6294-70-8MFCD09835026Pyrazinamine, 5,6-dimethyl-NSC96222-AMINO-5,6-DIMETHYLPYRAZINESCHEMBL2033970DTXSID00278727NSC 9622NSC-9622AKOS006329400CS-W020409
Show more names
6-Amino-2,3-dimethylpyrazine2-Pyrazinamine, 5,6-dimethyl-
AB53106GS-3712SY107861FT-071024356-Dimethylpyrazin-2-amineSCHEMBL2078929SCHEMBL30060684DA-41872

Database identifiers

CAS
6294-70-8
PubChem CID
222763
DTXSID
DTXSID00278727

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
51.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
9
Formal charge
0
Complexity
94.3

Physicochemical properties

Melting point
140 · 140-144 °C(Solv: benzene (71-43-2))
Boiling point
253.4 · 253.4±35.0 °C(Predicted)
Density
1.112 · 1.112±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
pka
3.8 · 3.80±0.10(Predicted)
Appearance
Off-white to light yellow Solid

Chemistry & industry

Upstream & downstream products

Upstream raw materials

2-Aminoacetamidine dihydrobromide2,3-ButanedioneSodium acetateMethanolWaterSodium hydroxide

Downstream products

3-Bromo-5,6-dimethylpyrazin-2-amine

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Related reactions

5 records
New reaction record
HRID 66740 reaction equation
HRID 66740As reactantuspto-grants-1982_08
HRID 267938 reaction equation
HRID 267938As reactantuspto-grants-1976_03
HRID 441733 reaction equation
HRID 441733As reactantuspto-grants-1977_08
HRID 697308 reaction equation
HRID 697308As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1701533 reaction equation
HRID 1701533As reactantuspto-grants-1980_03

Compound notes

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