AG0039OA

7251-09-4 | 4-Amino-2-methoxybenzonitrile

AG0039OA

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CAS Number	7251-09-4
Catalog Number	AG0039OA(AGN-PC-0JOABR)
Chemical Name	4-Amino-2-methoxybenzonitrile
IUPAC Name	4-amino-2-methoxybenzonitrile
InChI	InChI=1S/C8H8N2O/c1-11-8-4-7(10)3-2-6(8)5-9/h2-4H,10H2,1H3
InChI Key	KTDRJLRJAHBQDQ-UHFFFAOYSA-N
MDL Number	MFCD09027303
Molecular Formula	C8H8N2O
Molecular Weight	148.1619
NSC Number	30614
SMILES	NC1=CC(=C(C#N)C=C1)OC
Synonyms	4-amino-2-methoxybenzonitrile, 7251-09-4, 4-Cyano-3-methoxyaniline, 4-amino-2-(methyloxy)benzonitrile, NSC30614, 5-Amino-2-cyanoanisole, AC1L5OJR, AC1Q4RFR, 3-methoxy-4-cyanoaniline, SCHEMBL1642615, 4-Amino-2-methoxy-benzonitrile, CTK5D6298, Benzonitrile,4-amino-2-methoxy-, DTXSID20283237, KTDRJLRJAHBQDQ-UHFFFAOYSA-N, Benzonitrile, 4-amino-2-methoxy-, KS-00000NX8, ZINC1661195, ANW-48833, MFCD09027303, NSC-30614, AKOS006291558, CS-W006863, GS-3927, AJ-28914, AK-77827, BR-77827, CJ-06007, SC-13144, ST2418082, TC-137578, 4CH-015764, FT-0763261, W8111, S-5058, 3-Methoxy-4-methylaniline, C8H8N2O, AR-1G0601, CID232735, A2785, 107228-69-3,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.064g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	148.165g/mol
Monoisotopic Mass	148.064g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	59A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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