AG0031NO

30925-11-2 | Benzeneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]methylamino]-, (αS)-

AG0031NO

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CAS Number	30925-11-2
Catalog Number	AG0031NO(AGN-PC-0R6CCC)
Chemical Name	Benzeneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]methylamino]-, (αS)-
IUPAC Name	(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid
InChI	InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15(4)11(12(16)17)10-8-6-5-7-9-10/h5-9,11H,1-4H3,(H,16,17)/t11-/m0/s1
InChI Key	COABPHLHHQAKPL-NSHDSACASA-N
MDL Number	MFCD00038799
Molecular Formula	C14H19NO4
Molecular Weight	265.3050
SMILES	CN([C@H](C(=O)O)C1=CC=CC=C1)C(=O)OC(C)(C)C
Synonyms	BOC-N-ME-PHG-OH, 30925-11-2, Boc-N-Methyl-L-phenylglycine, MFCD00038799, (S)-2-((TERT-BUTOXYCARBONYL)(METHYL)AMINO)-2-PHENYLACETIC ACID, PubChem12248, SCHEMBL994016, boc-N-me-phg-oh, AldrichCPR, DTXSID60426681, (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid, Boc-N-methyl-(S)-2-phenylglycine, EBD54295, ZINC2391142, AKOS016001117, CB-1687, ACM30925112, AJ-35729, AK-49669, AS-42706, SC-22507, AX8015571, FT-0638943, ST24046234, K-7373, 925B112, C-16600, (S)-[Methyl(tert-butoxycarbonyl)amino]phenylacetic acid, N-alpha-(t-Butyloxycarbonyl)-N-alpha-methyl-L-phenylglycine, (2S)-[(tert-Butoxycarbonyl)(methyl)amino](phenyl)acetic acid, (S)-[(tert-butoxycarbonyl)(methyl)amino](phenyl)acetic acid, (S)-2-(tert-butoxycarbonyl(methyl)amino)-2-phenylacetic acid, Boc-N-Me-Phg-OH - 5G 5g, ACN-033958, CID7010620, A7710, N-(tert-Butoxycarbonyl)-N-methyl-L-phenylglycine, (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenyl-acetic Acid,

Complexity	329
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	265.131g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	265.309g/mol
Monoisotopic Mass	265.131g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

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