3-Amino-2,5-dimethylpyrazine - CAS 13134-38-8

Catalog:	BB007299
Product Name:	3-Amino-2,5-dimethylpyrazine
CAS:	13134-38-8
Synonyms:	3,6-dimethyl-2-pyrazinamine; 3,6-dimethylpyrazin-2-amine

Technical Data

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Computed Properties

IUPAC Name:	3,6-dimethylpyrazin-2-amine
Description:	3-Amino-2,5-dimethylpyrazine (CAS# 13134-38-8) is a useful research chemical.
Molecular Weight:	123.16
Molecular Formula:	C6H9N3
Canonical SMILES:	CC1=CN=C(C(=N1)N)C
InChI:	InChI=1S/C6H9N3/c1-4-3-8-5(2)6(7)9-4/h3H,1-2H3,(H2,7,9)
InChI Key:	HYZYHVUIWRRMEZ-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, Room temperature
LogP:	1.25680

Publication Number	Title	Priority Date
US-2020102303-A1	Monoacylglycerol Lipase Modulators	20180928
US-2020102311-A1	Monoacylglycerol Lipase Modulators	20180928
WO-2020065613-A1	Monoacylglycerol lipase modulators	20180928
WO-2020065614-A1	Monoacylglycerol lipase modulators	20180928
CN-113164458-A	Monoacylglycerol lipase modulators	20180928

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	94.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	123.0796473
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	123.0796473
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2