AG00CENS

28217-95-0 | Pyrazine, 2-(phenylMethyl)-

AG00CENS

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CAS Number	28217-95-0
Catalog Number	AG00CENS(AGN-PC-0JS9FS)
Chemical Name	Pyrazine, 2-(phenylMethyl)-
IUPAC Name	2-benzylpyrazine
InChI	InChI=1S/C11H10N2/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-7,9H,8H2
InChI Key	QGSOPZAYKHDVDO-UHFFFAOYSA-N
MDL Number	MFCD18449271
Molecular Formula	C11H10N2
Molecular Weight	170.2105
SMILES	C1(CC2=CC=CC=C2)=NC=CN=C1
UNII	G3BRN3E6GB
Synonyms	2-benzylpyrazine, 28217-95-0, Benzyl pyrazine, UNII-G3BRN3E6GB, G3BRN3E6GB, Pyrazine, 2-(phenylmethyl)-, QGSOPZAYKHDVDO-UHFFFAOYSA-N, benzylpyrazine, Pyrazine, benzyl-, (Phenylmethyl)pyrazine, 2-Phenylmethyl-pyrazine, AC1LAU6O, Pyrazine, 2-phenylmethyl-, SCHEMBL3048473, CTK4G1026, DTXSID90334326, FCH907740, MFCD18449271, ZINC32152068, AKOS006370719, DS-5585, AJ-84794, AK127694, AX8249485, CS-0091613, CID520370,

Complexity	141
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.084g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	170.215g/mol
Monoisotopic Mass	170.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	25.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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