AG00DIL8

5117-44-2 | PYRAZIN-2-YLACETONITRILE

AG00DIL8

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CAS Number	5117-44-2
Catalog Number	AG00DIL8(AGN-PC-0NK93B)
Chemical Name	PYRAZIN-2-YLACETONITRILE
IUPAC Name	2-pyrazin-2-ylacetonitrile
InChI	InChI=1S/C6H5N3/c7-2-1-6-5-8-3-4-9-6/h3-5H,1H2
InChI Key	IMDVGMNGUNXHQJ-UHFFFAOYSA-N
MDL Number	MFCD10697794
Molecular Formula	C6H5N3
Molecular Weight	119.1240
SMILES	N#CCC1=CN=CC=N1
Synonyms	2-(Pyrazin-2-yl)acetonitrile, 5117-44-2, PYRAZIN-2-YLACETONITRILE, Pyrazineacetonitrile, PYRAZIN-2-YL-ACETONITRILE, 2-PYRAZINEACETONITRILE, pyrazinylacetonitrile, 2-pyrazinylacetonitrile, Pyrazine-2-acetonitrile, 2-pyrazin-2-ylacetonitrile, (Pyrazin-2-yl)acetonitrile, SCHEMBL3680699, 2-PYRAZINYL ACETONITRILE, 2-(Pyrazin-2-yl);acetonitrile, CTK8C1383, DTXSID60509761, IMDVGMNGUNXHQJ-UHFFFAOYSA-N, 7112AB, ANW-66406, MFCD10697794, ZINC33487041, AKOS012506218, MCULE-6140753769, PB16294, QC-6885, AJ-86131, AS-35428, SC-26030, SC-35987, 2-Pyrazineacetonitrile;Pyrazineacetonitrile, DB-071315, TC-155151, CS-0053750, FT-0725933, Q-2323, I03-0690, Z1708091447, C6H5N3, ACN-030147,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	119.048g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	119.127g/mol
Monoisotopic Mass	119.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	49.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H301-H311-H331
Packing Group	Ⅲ
Precautionary statements	P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P311-P312-P321-P322-P330-P361-P363-P403+P233-P405-P501
UN Code	UN 1760

Certificate of Analysis

Lot Number