AG00DEC3

5129-23-7 | 3-Amino-4-ethylbenzoic acid

AG00DEC3

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CAS Number	5129-23-7
Catalog Number	AG00DEC3(AGN-PC-0NJ289)
Chemical Name	3-Amino-4-ethylbenzoic acid
IUPAC Name	3-amino-4-ethylbenzoic acid
InChI	InChI=1S/C9H11NO2/c1-2-6-3-4-7(9(11)12)5-8(6)10/h3-5H,2,10H2,1H3,(H,11,12)
InChI Key	LLZSVDFDTYGEEG-UHFFFAOYSA-N
MDL Number	MFCD07774227
Molecular Formula	C9H11NO2
Molecular Weight	165.1891
SMILES	O=C(O)C1=CC=C(CC)C(N)=C1
Synonyms	3-Amino-4-ethylbenzoic acid, 5129-23-7, 3-amino-4-ethyl-benzoic acid, 3-azanyl-4-ethyl-benzoic acid, SCHEMBL3131960, Benzoic acid,3-amino-4-ethyl-, CTK4J3980, KS-00000JFP, DTXSID30499327, LLZSVDFDTYGEEG-UHFFFAOYSA-N, bis(4-isocyanatocyclohexyl) methane, ANW-45440, MFCD07774227, ZINC22008284, AKOS012321418, AC-1963, MCULE-6703918247, AJ-80356, AK-35408, AN-14435, BC201184, DS-12643, Q653, AB0017721, DB-004209, TC-134185, 1,1'-Methylenebis-(4-Isocyanatocyclohexane), 4CH-010265, CS-0030449, FT-0692060, ST24028384, M-9631, 129A237, A828516, Z1318147481, Hydrogenated MDI, Nacconate H 12, C9H11NO2, 4,4'-Diisocyanatodicyclohexylmethane, Dicyclohexylmethane-4,4'-diisocyanate, ACN-051688, 4,4'-Methylenebis(cyclohexyl Isocyanate), 1,1-Methylene bis(4-isocyanatocyclohexane),

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	165.192g/mol
Monoisotopic Mass	165.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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