AG001R89

1596-56-1 | 2-NAPHTHALENECARBOXAMIDE, N-(2,4-DIMETHYLPHENYL)-3-(PHOSPHONOOXY)-

AG001R89

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CAS Number	1596-56-1
Catalog Number	AG001R89(AGN-PC-0JLBF3)
Chemical Name	2-NAPHTHALENECARBOXAMIDE, N-(2,4-DIMETHYLPHENYL)-3-(PHOSPHONOOXY)-
EC Number	216-480-1
IUPAC Name	[3-[(2,4-dimethylphenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate
InChI	InChI=1S/C19H18NO5P/c1-12-7-8-17(13(2)9-12)20-19(21)16-10-14-5-3-4-6-15(14)11-18(16)25-26(22,23)24/h3-11H,1-2H3,(H,20,21)(H2,22,23,24)
InChI Key	IOMLBTHPCVDRHM-UHFFFAOYSA-N
MDL Number	MFCD00042711
Molecular Formula	C19H18NO5P
Molecular Weight	371.3237
SMILES	P(=O)(OC1=CC2=CC=CC=C2C=C1C(NC1=C(C=C(C=C1)C)C)=O)(O)O
Synonyms	naphthol AS-MX phosphate, naphthol AS-MX phosphate, sodium salt, Naphthol AS-MX phosphate, 1596-56-1, N-(2,4-Dimethylphenyl)-3-(phosphonooxy)-2-naphthalenecarboxamide, 2-Naphthalenecarboxamide,N-(2,4-dimethylphenyl)-3-(phosphonooxy)-, 2-Naphthalenecarboxamide, N-(2,4-dimethylphenyl)-3-(phosphonooxy)-, [3-[(2,4-dimethylphenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate, Naphthol aS-mx-phosphate, EINECS 216-480-1, naphthol-as-mx-phosphate, AC1L2L9D, AC1Q6RX9, SCHEMBL8647712, CTK4D0169, 3-(Phosphonooxy)-N-(2,4-xylyl)naphthalene-2-carboxamide, DTXSID60166696, IOMLBTHPCVDRHM-UHFFFAOYSA-N, ZINC1995277, 3-[(2,4-dimethylphenyl)carbamoyl]-2-naphthyl dihydrogen phosphate, STL301824, AKOS016363997, API0003510, MCULE-1676780834, VZ32896, CC-31232, DB-043431, FT-0633689, A810052, C-21151, Naphthol AS-MX phosphate, powder, >=99% (HPLC), 3-(2,4-dimethylphenylcarbamoyl)naphthalen-2-yl dihydrogen phosphate, N-(2,4-Dimethylphenyl)-3-(phosphonooxy)-2naphthalenecarboxamide, [3-[(2,4-dimethylanilino)-oxomethyl]-2-naphthalenyl] dihydrogen phosphate, {3-[(2,4-dimethylphenyl)carbamoyl]naphthalen-2-yl}oxyphosphonic acid, 3-[(2,4-Dimethylanilino)carbonyl]-2-naphthyl dihydrogen phosphate #, 3-[(2,4-dimethylphenyl)carbamoyl]naphthalen-2-yl dihydrogen phosphate, C19H18NO5P, CID74136, C19-H18-N-O5-P, AR-1F0393, 16230-35-6,

Complexity	550
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	371.092g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	371.329g/mol
Monoisotopic Mass	371.092g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	95.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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