AG00CIRA

38487-85-3 | 2-Amino-4-methoxybenzonitrile

AG00CIRA

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CAS Number	38487-85-3
Catalog Number	AG00CIRA(AGN-PC-0KZ5W2)
Chemical Name	2-Amino-4-methoxybenzonitrile
IUPAC Name	2-amino-4-methoxybenzonitrile
InChI	InChI=1S/C8H8N2O/c1-11-7-3-2-6(5-9)8(10)4-7/h2-4H,10H2,1H3
InChI Key	AUCDLHDDGNGDHD-UHFFFAOYSA-N
MDL Number	MFCD05149246
Molecular Formula	C8H8N2O
Molecular Weight	148.1619
SMILES	N#CC1=CC=C(OC)C=C1N
Synonyms	2-amino-4-methoxybenzonitrile, 38487-85-3, 2-amino-4-methoxy-benzonitrile, 4-methoxy-2-aminobenzonitrile, Benzonitrile, 2-amino-4-methoxy-, AC1MWF6D, KSC494S0R, SCHEMBL627816, CTK3J4908, KS-00000JUM, DTXSID90395538, AUCDLHDDGNGDHD-UHFFFAOYSA-N, ACT00514, ANW-49141, CL8141, MFCD05149246, ZINC15780493, AKOS006293455, AB21542, AM82955, CS-W006163, MCULE-4421837753, RP21211, AC-28554, AJ-67886, AK-34954, BR-34954, CJ-15216, DS-12342, SC-37229, AB0024617, RT-002249, ST2416394, 4CH-012434, FT-0647094, W5923, S-4939, Z1416200883, C8H8N2O, CID3723128,

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	1.5

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

Lot Number