AG00E3AT

46187-37-5 | Pyrazine, trimethyl(2-methylpropyl)- (9CI)

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CAS Number	46187-37-5
Catalog Number	AG00E3AT(AGN-PC-0JS9WM)
Chemical Name	Pyrazine, trimethyl(2-methylpropyl)- (9CI)
IUPAC Name	2,3,5-trimethyl-6-(2-methylpropyl)pyrazine
InChI	InChI=1S/C11H18N2/c1-7(2)6-11-10(5)12-8(3)9(4)13-11/h7H,6H2,1-5H3
InChI Key	CMCOFWHSAGPVSF-UHFFFAOYSA-N
MDL Number	MFCD08457810
Molecular Formula	C11H18N2
Molecular Weight	178.2740
SMILES	CC1=C(C)N=C(C)C(CC(C)C)=N1
Synonyms	2-Isobutyl-3,5,6-trimethylpyrazine, 46187-37-5, 2,3,5-trimethyl-6-(2-methylpropyl)pyrazine, trimethylisobutylpyrazine, 2-(2-Methylpropyl)-3,5,6-trimethylpyrazine, Pyrazine, trimethyl(2-methylpropyl)- (9CI), AC1LAV98, SCHEMBL10392933, CTK4I9218, DTXSID10334580, CMCOFWHSAGPVSF-UHFFFAOYSA-N, 6355AB, FCH861436, MFCD08457810, ZINC32153536, Pyrazine, trimethyl(2-methylpropyl)-, AKOS006291217, DS-6992, 2-Isobutyl-3,5,6-trimethylpyrazine #, ACM46187375, KS-00000R77, Pyrazine, 3,5,6-trimethyl-2-isobutyl, AJ-84806, AK123360, AX8247538, CS-0061033, 2,5,6-Trimethyl-3-(2-methylpropyl)pyrazine, I14-13679, Pyrazine,trimethyl -, C11H18N2, CID521191,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.147g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.279g/mol
Monoisotopic Mass	178.147g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	25.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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