AG00C26D

214623-57-1 | Benzonitrile, 5-amino-2-methoxy- (9CI)

AG00C26D

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CAS Number	214623-57-1
Catalog Number	AG00C26D(AGN-PC-0L5DIX)
Chemical Name	Benzonitrile, 5-amino-2-methoxy- (9CI)
IUPAC Name	5-amino-2-methoxybenzonitrile
InChI	InChI=1S/C8H8N2O/c1-11-8-3-2-7(10)4-6(8)5-9/h2-4H,10H2,1H3
InChI Key	BZNMIDYUSWEPOM-UHFFFAOYSA-N
MDL Number	MFCD00723841
Molecular Formula	C8H8N2O
Molecular Weight	148.1619
SMILES	COC1=C(C=C(N)C=C1)C#N
Synonyms	5-amino-2-methoxybenzonitrile, 214623-57-1, 2-Methoxy-5-aminobenzonitrile, BZNMIDYUSWEPOM-UHFFFAOYSA-N, Benzonitrile, 5-amino-2-methoxy-, 5-amino-2-methoxybenzenecarbonitrile, MLS000100556, Benzonitrile,5-amino-2-methoxy-, Benzonitrile, 5-amino-2-methoxy- (9CI), 3-Cyano-4-methoxyaniline, AC1N2VG0, IFLab1_000078, SCHEMBL3817177, CHEMBL1422206, CTK4E6862, KS-00000IKF, DTXSID60399346, HMS1412D12, HMS2258N20, ALBB-004948, ZINC3076636, 0917AB, ANW-66517, MFCD00723841, SBB019228, STK501486, AKOS003617717, CS-W006487, MCULE-6854023197, RTR-010078, IDI1_008297, AJ-44409, AK-41161, AM806821, DS-13806, SMR000018379, 5-amino-2-methoxybenzonitrile, AldrichCPR, AB0154552, ST4147467, BB 0260263, FT-0679050, ST24044319, W-7520, I01-15806, F0074-0075, Z276544466, C8H8N2O, CID4102671,

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	0.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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