AG003H5X

72797-16-1 | 2-Ethoxy-3-Isopropylpyrazine

AG003H5X

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CAS Number	72797-16-1
Catalog Number	AG003H5X(AGN-PC-0JNDDC)
Chemical Name	2-Ethoxy-3-Isopropylpyrazine
EC Number	276-847-7
FEMA Number	4632
IUPAC Name	2-ethoxy-3-propan-2-ylpyrazine
InChI	InChI=1S/C9H14N2O/c1-4-12-9-8(7(2)3)10-5-6-11-9/h5-7H,4H2,1-3H3
InChI Key	LTAUBPVQMBOANV-UHFFFAOYSA-N
MDL Number	MFCD00038029
Molecular Formula	C9H14N2O
Molecular Weight	166.2203
SMILES	C(C)OC1=NC=CN=C1C(C)C
UNII	SU7E06NLO9
Synonyms	2-Ethoxy-3-isopropylpyrazine, 72797-16-1, Pyrazine, 2-ethoxy-3-(1-methylethyl)-, 2-ethoxy-3-propan-2-ylpyrazine, UNII-SU7E06NLO9, SU7E06NLO9, 2-Ethoxy-3-isopropyl pyrazine, W-104479, EINECS 276-847-7, ACMC-209ooa, AC1L41DW, 2-isopropyl-3-ethoxypyrazine, SCHEMBL430323, DTXSID2072598, CTK5D6834, LTAUBPVQMBOANV-UHFFFAOYSA-, LTAUBPVQMBOANV-UHFFFAOYSA-N, ZINC2575509, 1297AC, ANW-36248, MFCD00038029, AKOS015839003, FCH1121935, Pyrazine,2-ethoxy-3-(1-methylethyl)-, 2-Ethoxy-3-isopropylpyrazine, AldrichCPR, AJ-42389, AX8074435, TR-023722, E0716, FT-0716964, KS-00001729, C-48499, I14-12015, InChI=1/C9H14N2O/c1-4-12-9-8(7(2)3)10-5-6-11-9/h5-7H,4H2,1-3H3, C9H14N2O, C9-H14-N2-O, CID175170,

Complexity	128
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.111g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	166.224g/mol
Monoisotopic Mass	166.111g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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