AG00DHV5

51301-86-1 | 2-TERT-BUTOXYCARBONYLAMINO-3-(4-CHLORO-PHENYL)-PROPIONIC ACID

AG00DHV5

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CAS Number	51301-86-1
Catalog Number	AG00DHV5(AGN-PC-0KK6LP)
Chemical Name	2-TERT-BUTOXYCARBONYLAMINO-3-(4-CHLORO-PHENYL)-PROPIONIC ACID
IUPAC Name	3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)
InChI Key	BETBOAZCLSJOBQ-UHFFFAOYSA-N
MDL Number	MFCD02081080
Molecular Formula	C14H18ClNO4
Molecular Weight	299.7500
SMILES	CC(C)(C)OC(=O)NC(CC1=CC=C(Cl)C=C1)C(O)=O
Synonyms	51301-86-1, 2-((tert-Butoxycarbonyl)amino)-3-(4-chlorophenyl)propanoic acid, Boc-DL-4-chlorophenylalanine, AK-87815, 2-TERT-BUTOXYCARBONYLAMINO-3-(4-CHLORO-PHENYL)-PROPIONIC ACID, DL-Phenylalanine, 4-chloro-N-[(1,1-dimethylethoxy)carbonyl]-, AK-49935, N-(tert-Butoxycarbonyl)-4-chlorophenylalanine, ACMC-209lwy, ACMC-209o1t, SCHEMBL181849, AC1N528Y, KS-00000KLX, DTXSID40400141, BETBOAZCLSJOBQ-UHFFFAOYSA-N, 7130AB, ANW-63271, MFCD02081080, 3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, AKOS005349993, VA50084, ACM51301861, BBV-38206991, DS-18384, SC-95695, SY023328, AX8033878, ST2403779, TC-152016, 4CH-017331, MFCD00057808 (98%), 2-((Boc)amino)-3-(4-chlorophenyl)propanoic acid, 2-((tert-butoxycarbonyl)amino)-3-(4-chlorophenyl)p, F2147-6565, N-tert-butoxycarbonyl-beta-(4-chlorophenyl)-D,L-alanine, 2-(tert-butoxycarbonylamino)-3-(4-chlorophenyl)propanoic acid, 2-{[(tert-butoxy)carbonyl]amino}-3-(4-chlorophenyl)propanoic acid, Boc-D-4-Chlorophe, Boc-Phe(4-Cl)-OH, Boc-D-Phe(4-Cl)-OH, Boc-D-4-Chlorophenylalanine, Boc-L-4-Chlorophenylalanine, C14H18ClNO4, N-Boc-4-chloro-L-phenylalanine, CID4164897, (R)-N-BOC-4-CHLOROPHENYLALANINE, 57292-44-1, 68090-88-0, N-(tert-Butoxycarbonyl)-4-chloro-D-phenylalanine, N-(tert-Butoxycarbonyl)-4-chloro-L-phenylalanine, 2-[(tert-butoxycarbonyl)amino]-3-(4-chlorophenyl)propanoic acid,

Complexity	346
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	299.092g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	299.751g/mol
Monoisotopic Mass	299.092g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	1
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	P261-P305+P351+P338
UN Code

Certificate of Analysis

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