AG00370D

59564-78-2 | 1,3-Bisbenzyl-2-Oxoimidazolidine-4,5-Dicarboxylic Acid

AG00370D

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CAS Number	59564-78-2
Catalog Number	AG00370D(AGN-PC-05XGHR)
Chemical Name	1,3-Bisbenzyl-2-Oxoimidazolidine-4,5-Dicarboxylic Acid
EC Number	261-806-8
IUPAC Name	1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid
InChI	InChI=1S/C19H18N2O5/c22-17(23)15-16(18(24)25)21(12-14-9-5-2-6-10-14)19(26)20(15)11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,22,23)(H,24,25)
InChI Key	QSMUFXXTSUEZJA-UHFFFAOYSA-N
MDL Number	MFCD06798134
Molecular Formula	C19H18N2O5
Molecular Weight	354.3566
SMILES	C(C1=CC=CC=C1)N1C(N(C(C1C(=O)O)C(=O)O)CC1=CC=CC=C1)=O
Synonyms	59564-78-2, 1,3-Bisbenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid, 1,3-Dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid, 1,3-Dibenzyl-2-imidax zolidone-cis-4,5-dicarboxylic, cis-1,3-Dibenzyl-2-oxo-4,5-imidazolidinedicarboxylic Acid, 4,5-Imidazolidinedicarboxylic acid, 2-oxo-1,3-bis(phenylmethyl)-, Cyclic acid, EINECS 261-806-8, PubChem23313, ACMC-209kur, AC1Q5UCU, KSC269G6P, SCHEMBL351271, AC1L2Q20, CTK1G9367, KS-000001XC, EINECS 257-308-5, ABP001137, MFCD06798134, AKOS015889494, CD-1071, TRA0036726, ACM26339402, AK114696, BC682410, AX8021674, RT-000097, D3309, FT-0640611, ST24036770, 564B782, 1,3-dibenzyl-2-imidazolidone-4,5-dicarboxylic acid, I01-2023, 1,3-Bisbenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid, 97%, 2-Oxo-1,3-bis(phenylmethyl)-4,5-imidazolidinedicarboxylic acid, (4S,5R)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid, 4,5-Imidazolidinedicarboxylicacid, 2-oxo-1,3-bis(phenylmethyl)-, 1,3-Dibenzyl-2-imidazolidone-cis-4,5-dicarboxylic acid(intermediate of D-biotin), 4-bromo-2-methoxyphenylamine, QSMUFXXTSUEZJA-UHFFFAOYSA-N, C19H18N2O5, KST-1B6214, AR-1B6795, CID101078, C19-H18-N2-O5, 51591-75-4, cis-1,3-Dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid, 1,3-Bisbenzyl-2-oxoimidazolidine-4,5-dicarboxylicacid, 1,3-DIBENZYL-2-OXOIMIDAZOLIDINE-4,5-DICARBOXYLICACID, 61240-37-7, 26339-40-2,

Complexity	494
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	354.122g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	354.362g/mol
Monoisotopic Mass	354.122g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	98.2A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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