AG003C61

21752-35-2 | (R)-2-((1-Phenylethyl)carbamoyl)benzoic acid

AG003C61

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CAS Number	21752-35-2
Catalog Number	AG003C61(AGN-PC-0O7WD8)
Chemical Name	(R)-2-((1-Phenylethyl)carbamoyl)benzoic acid
EC Number	244-570-0
IUPAC Name	2-[[(1R)-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-/m1/s1
InChI Key	VCFKXWGKKDZMPO-LLVKDONJSA-N
MDL Number	MFCD00063050
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	21752-35-2, (R)-(+)-N-(1-Phenylethyl)phthalamic acid, (R)-2-((1-Phenylethyl)carbamoyl)benzoic acid, (R)-(+)-N-(alpha-Methylbenzyl)phthalamic acid, 2-{[(1r)-1-phenylethyl]carbamoyl}benzoic acid, (R)-o-(((1-Phenylethyl)amino)carbonyl)benzoic acid, Benzoic acid,2-[[[(1R)-1-phenylethyl]amino]carbonyl]-, Benzoic acid, 2-[[[(1R)-1-phenylethyl]amino]carbonyl]-, 2-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid, AC1Q5UTM, AC1L3H0G, SCHEMBL1285869, CTK4E7621, DTXSID80176151, ZINC142902, EINECS 244-570-0, 1048AB, ANW-24570, MFCD00063050, AKOS010367584, AKOS015840183, SS-4857, ACM21752352, KS-000016X7, (+)-N-(1-Phenylethyl)phthalic acid mon, AJ-12482, AK105354, BP-12912, OR322163, (r)-2-(1-phenylethylcarbamoyl)benzoic acid, AX8047142, DB-066625, TR-010213, FT-0773187, M1622, (R)-(+)-(alpha-Methylbenzyl)phthalamic Acid, (R)-(+)-N-(|A-Methylbenzyl)phthalamic acid, (+)-N-(1-Phenylethyl)phthalic acid monoamide, (R)-(+)-N-(alpha-Methylbenzyl)phthalamicAcid, (+)-N-[(R)-alpha-Methylbenzyl]phthalamidic acid, C-47150, (R)-(+)-N-(1-Phenylethyl)phthalamic acid, 97%, J-014274, (R)-(+)-N-(|A-Methylbenzyl)phthalic acid monoamide, I01-17736, C16H15NO3, CID89038, AR-1D7199, (S)-2-((1-phenylethyl)carbamoyl)benzoic acid, 2-([(1-Phenylethyl)amino]carbonyl)benzoic acid, R/S-(+)-N-(1-PHENYLETHYL)PHTHALAMIC ACID, 21752-36-3, 22259-56-9,

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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