2-Amino-3-ethylpyrazine - CAS 93035-02-0

Catalog:	BB040748
Product Name:	2-Amino-3-ethylpyrazine
CAS:	93035-02-0
Synonyms:	3-ethyl-2-pyrazinamine; 3-ethylpyrazin-2-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	3-ethylpyrazin-2-amine
Description:	2-Amino-3-ethylpyrazine (CAS# 93035-02-0 ) is a useful research chemical.
Molecular Weight:	123.16
Molecular Formula:	C6H9N3
Canonical SMILES:	CCC1=NC=CN=C1N
InChI:	InChI=1S/C6H9N3/c1-2-5-6(7)9-4-3-8-5/h3-4H,2H2,1H3,(H2,7,9)
InChI Key:	RFYCVSAKGBHBFO-UHFFFAOYSA-N
Boiling Point:	250.6 °C at 760 mmHg
Density:	1.109 g/cm³
LogP:	1.20240

Publication Number	Title	Priority Date
CN-112851639-A	2-amino-5-heteroaryl substituted pyrazine derivative and application thereof	20210218
US-2019343838-A1	Kras g12c inhibitors and methods of using the same	20180504
WO-2019213516-A1	Kras g12c inhibitors and methods of using the same	20180504
AU-2019262589-A1	KRAS G12C inhibitors and methods of using the same	20180504
EP-3788038-A1	Kras g12c inhibitors and methods of using the same	20180504

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Complexity:	84.4
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:	1
Topological Polar Surface Area:	51.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1