AG003XKN

89371-35-7 | (S)-1-METHYL-2-OXO-IMIDAZOLIDINE-4-CARBOXYLIC ACID BENZYL ESTER

AG003XKN

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CAS Number	89371-35-7
Catalog Number	AG003XKN(AGN-PC-0VOXHH)
Chemical Name	(S)-1-METHYL-2-OXO-IMIDAZOLIDINE-4-CARBOXYLIC ACID BENZYL ESTER
IUPAC Name	benzyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate
InChI	InChI=1S/C12H14N2O3/c1-14-7-10(13-12(14)16)11(15)17-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,16)/t10-/m0/s1
InChI Key	SXTMXSXWPZPIFG-JTQLQIEISA-N
MDL Number	MFCD08689599
Molecular Formula	C12H14N2O3
Molecular Weight	234.2512
SMILES	O(CC1C=CC=CC=1)C([C@@H]1CN(C)C(N1)=O)=O
Synonyms	89371-35-7, (S)-1-Methyl-2-oxo-imidazolidine-4-carboxylic acid benzyl ester, (S)-Benzyl 1-methyl-2-oxoimidazolidine-4-carboxylate, benzyl (S)-1-methyl-2-oxoimidazolidine-4-carboxylate, benzyl (4S)-1-methyl-2-oxo-imidazolidine-4-carboxylate, 4-Imidazolidinecarboxylicacid, 1-methyl-2-oxo-, phenylmethyl ester, (4S)-, SCHEMBL14567386, CTK5G2952, SXTMXSXWPZPIFG-JTQLQIEISA-N, MFCD08689599, ZINC15442584, FCH3616512, AJ-67395, AK139209, AS-38050, AX8036059, DB-016783, FT-0772850, X-2690, F2147-9809, (s)-1-methyl-2-oxo-imidazolidine-4-carboxylic acidbenzyl ester,

Complexity	300
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	234.1g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	234.255g/mol
Monoisotopic Mass	234.1g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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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