AG0033KA

36499-49-7 | 3-[4-(Diethylamino)-2-methylphenyl]-3- (1,2-dimethyl-1H-indol-3-yl)-1(3H)-Isobenzofuranone

AG0033KA

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CAS Number	36499-49-7
Catalog Number	AG0033KA(AGN-PC-03LGIN)
Chemical Name	3-[4-(Diethylamino)-2-methylphenyl]-3- (1,2-dimethyl-1H-indol-3-yl)-1(3H)-Isobenzofuranone
EC Number	609-252-1
IUPAC Name	3-[4-(diethylamino)-2-methylphenyl]-3-(1,2-dimethylindol-3-yl)-2-benzofuran-1-one
InChI	InChI=1S/C29H30N2O2/c1-6-31(7-2)21-16-17-24(19(3)18-21)29(25-14-10-8-12-22(25)28(32)33-29)27-20(4)30(5)26-15-11-9-13-23(26)27/h8-18H,6-7H2,1-5H3
InChI Key	LCGJEUAHECYSFW-UHFFFAOYSA-N
MDL Number	MFCD08276348
Molecular Formula	C29H30N2O2
Molecular Weight	438.5607
SMILES	CCN(c1ccc(c(c1)C)C1(OC(=O)c2c1cccc2)c1c(C)n(c2c1cccc2)C)CC
Synonyms	36499-49-7, 3-(4-(Diethylamino)-2-methylphenyl)-3-(1,2-dimethyl-1H-indol-3-yl)isobenzofuran-1(3H)-one, 3-(1,2-Dimethyl-3-indolyl)-3-[4-(diethylamino)-2-methylphenyl]phthalide, AK141871, 3-[2-Methyl-4-(diethylamino)phenyl]-3-(1,2-dimethyl-3-indolyl)phthalide, NC Blue 3, ACMC-209in4, SCHEMBL1370527, CTK4H6547, KS-00000RVF, DTXSID80623231, ANW-28430, MFCD08276348, AKOS015850817, DS-7343, ACM36499497, AC-27894, AX8282004, ST2401833, TR-014950, D3201, Q-9288, 1(3H)-Isobenzo[b]furanone,3-[4-(diethylamino)-2-methylphenyl]-3-(1,2-dimethyl-1H-indol-3-yl)-, 1(3H)-Isobenzofuranone,3-[4-(diethylamino)-2-methylphenyl]-3-(1,2-dimethyl-1H-indol-3-yl)-, 3-[4-(Diethylamino)-2-methylphenyl]-3- (1,2-dimethyl-1H-indol-3-yl)-1(3H)-Isobenzofuranone, 3-[4-(diethylamino)-2-methylphenyl]-3-(1,2-dimethyl-1H-indol-3-yl)-1,3-dihydro-2-benzofuran-1-one, 3-[4-(Diethylamino)-2-methylphenyl]-3-(1,2-dimethyl-1H-indol-3-yl)-2-benzofuran-1(3H)-one, ACN-030114, 3- -3-[4- -2-METHYLPHENYL]PHTHALIDE, 3-[4-(Diethylamino)-2-methylphenyl]-3-(1,2-dimethyl-1H-indol-3-yl)-1(3H)-Isobenzofuranone, 1(3H)-Isobenzofuranone, 3-[4-(diethylamino)-2-methylphenyl]-3-(1,2-dimethyl-1H-indol-3-yl)-,

Complexity	708
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	438.231g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	438.571g/mol
Monoisotopic Mass	438.231g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	34.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	6.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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