AG00G2WZ

77147-14-9 | 3-N-Phthaloylglyaminomethyl aniline

AG00G2WZ

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CAS Number	77147-14-9
Catalog Number	AG00G2WZ(AGN-PC-0UB4MT)
Chemical Name	3-N-Phthaloylglyaminomethyl aniline
IUPAC Name	2-[(3-aminophenyl)methyl]isoindole-1,3-dione
InChI	InChI=1S/C15H12N2O2/c16-11-5-3-4-10(8-11)9-17-14(18)12-6-1-2-7-13(12)15(17)19/h1-8H,9,16H2
InChI Key	FOBVDBSEYFIUCA-UHFFFAOYSA-N
MDL Number	MFCD03426398
Molecular Formula	C15H12N2O2
Molecular Weight	252.2680
SMILES	NC1=CC(CN2C(=O)C3=C(C=CC=C3)C2=O)=CC=C1
Synonyms	77147-14-9, 3-N-Phthaloylglyaminomethyl aniline, 2-(3-Aminobenzyl)isoindoline-1,3-dione, 2-[(3-aminophenyl)methyl]isoindole-1,3-dione, AC1MC2MU, SCHEMBL2025369, CHEMBL2237489, CTK7D8941, DTXSID40375148, ZINC2580945, MFCD03426398, AKOS000157897, AC-6640, AN-9812, AS-37445, AB0075838, X-2588, 2-[(3-aminophenyl)methyl]isoindoline-1,3-dione, A838972, 2-[(3-AMINOPHENYL)METHYL]-2,3-DIHYDRO-1H-ISOINDOLE-1,3-DIONE, ZINC02580945, CID2760418, 2-(3-Amino-benzyl)-isoindole-1,3-dione,

Complexity	358
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.09g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	252.273g/mol
Monoisotopic Mass	252.09g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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