AG003CE9

21752-36-3 | (S)-2-((1-phenylethyl)carbamoyl)benzoic acid

AG003CE9

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CAS Number	21752-36-3
Catalog Number	AG003CE9(AGN-PC-0O7WDC)
Chemical Name	(S)-2-((1-phenylethyl)carbamoyl)benzoic acid
EC Number	244-571-6
IUPAC Name	2-[[(1S)-1-phenylethyl]carbamoyl]benzoic acid
InChI	InChI=1S/C16H15NO3/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16(19)20/h2-11H,1H3,(H,17,18)(H,19,20)/t11-/m0/s1
InChI Key	VCFKXWGKKDZMPO-NSHDSACASA-N
MDL Number	MFCD00013979
Molecular Formula	C16H15NO3
Molecular Weight	269.2952
SMILES	O=C(O)C1=CC=CC=C1C(N[C@H](C2=CC=CC=C2)C)=O
Synonyms	21752-36-3, (S)-2-((1-phenylethyl)carbamoyl)benzoic acid, (S)-(-)-N-(1-Phenylethyl)phthalamic acid, (S)-(-)-N-(alpha-Methylbenzyl)phthalamic acid, 2-{[(1s)-1-phenylethyl]carbamoyl}benzoic acid, (S)-(-)-N-(alpha-Methylbenzyl)phthalamidic acid, (S)-o-(((1-Phenylethyl)amino)carbonyl)benzoic acid, Benzoic acid,2-[[[(1S)-1-phenylethyl]amino]carbonyl]-, 2-[[(1S)-1-phenylethyl]carbamoyl]benzoic acid, AC1Q5UTN, (S)-(-)-N-(alpha-Methylbenzyl)phthalamicAcid, AC1L3H0D, AC1Q29JY, SCHEMBL1285890, CTK8B1204, DTXSID40176152, ZINC142899, EINECS 244-571-6, 1049AB, ANW-24571, MFCD00013979, AKOS015840304, SS-4856, VC30276, ACM21752363, AJ-12481, AK109274, (s)-2-(1-phenylethylcarbamoyl)benzoic acid, AX8016333, DB-045684, TR-010214, A4671, FT-0638148, M0824, (S)-(-)-N-(|A-Methylbenzyl)phthalamic acid, (S)-(-)-N-(a-Methylbenzyl)phthalamidic acid, (?)-N-[(S)-alpha-Methylbenzyl]phthalamidic acid, C-16908, (S)-(-)-N-(1-Phenylethyl)phthalamic acid, 97%, J-014275, (S)-(-)-N-(|A-Methylbenzyl)phthalic acid monoamide, - -N- PHTHALAMICACID, C16H15NO3, CID89037, AR-1D7202, (S)-2-((1-Phenylethyl)carbamoyl)benzoicacid, 2-([(1-Phenylethyl)amino]carbonyl)benzoic acid, 22259-85-4,

Complexity	350
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	269.105g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	269.3g/mol
Monoisotopic Mass	269.105g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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