AG0025CT

177476-76-5 | Benzonitrile, 4-amino-3-methoxy-

AG0025CT

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CAS Number	177476-76-5
Catalog Number	AG0025CT(AGN-PC-00GQUC)
Chemical Name	Benzonitrile, 4-amino-3-methoxy-
IUPAC Name	4-amino-3-methoxybenzonitrile
InChI	InChI=1S/C8H8N2O/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4H,10H2,1H3
InChI Key	SCXGWOFGMVEUGW-UHFFFAOYSA-N
MDL Number	MFCD13250177
Molecular Formula	C8H8N2O
Molecular Weight	148.1619
SMILES	N#CC1=CC=C(N)C(OC)=C1
Synonyms	4-Amino-3-methoxybenzonitrile, 177476-76-5, 3-METHOXY-4-AMINOBENZONITRILE, 4-amino-3-methoxy-benzonitrile, 4-CYANO-2-METHOXY-ANILINE, 4-amino-3-methoxybenzenecarbonitrile, 4-cyano-2-methoxyaniline, aminomethoxybenzenecarbonitrile, SCHEMBL220780, CTK8B4554, KS-00000OEE, DTXSID90473421, SCXGWOFGMVEUGW-UHFFFAOYSA-N, Benzonitrile, 4-amino-3-methoxy-, ANW-45455, MFCD13250177, WT1592, ZINC36455738, AKOS006332957, AS02377, CS-W006078, FE-0741, MCULE-5773027953, RP09959, AC-28480, AJ-92917, AK-48952, BR-48952, CJ-18916, SC-29185, SY035407, AB0030546, TX-011916, 4CH-000258, AM20030175, FT-0681957, ST24028878, X2750, MFCD13250177 (95%), S-5843, 177476-76-5 4-Amino-3-methoxybenzenecarbonitrile, J-514367, I01-15732, C8H8N2O, ACN-046859, CID11815931, Benzonitrile, 4-amino-3-methoxy- (9CI),

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	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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