AG007ISE

33814-94-7 | Boc-3-(4-pyridyl)-DL-alanine

AG007ISE

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CAS Number	33814-94-7
Catalog Number	AG007ISE(AGN-PC-0R9ABB)
Chemical Name	Boc-3-(4-pyridyl)-DL-alanine
IUPAC Name	2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoic acid
InChI	InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-10(11(16)17)8-9-4-6-14-7-5-9/h4-7,10H,8H2,1-3H3,(H,15,18)(H,16,17)
InChI Key	FNYWDMKESUACOU-UHFFFAOYSA-N
MDL Number	MFCD03095708
Molecular Formula	C13H18N2O4
Molecular Weight	266.2930
SMILES	O=C(O)C(NC(OC(C)(C)C)=O)CC1=CC=NC=C1
Synonyms	33814-94-7, boc-3-(4-pyridyl)-dl-alanine, 2-((tert-Butoxycarbonyl)amino)-3-(pyridin-4-yl)propanoic acid, 2-{[(tert-Butoxy)carbonyl]amino}-3-(pyridin-4-yl)-propanoic acid, 2-{[(tert-butoxy)carbonyl]amino}-3-(pyridin-4-yl)propanoic acid, 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoic acid, 2-[(tert-butoxycarbonyl)amino]-3-(pyridin-4-yl)propanoic acid, AK-81895, Boc-4-Pyridyl-Ala-OH, AC1MN02S, SCHEMBL478774, CTK4H1276, DTXSID50391152, FNYWDMKESUACOU-UHFFFAOYSA-N, 0664AE, MFCD06656857, AKOS005765980, MCULE-5906212678, RP14958, SS-4040, TRA0053509, KS-00002B56, SC-62600, TR-014092, FT-0682009, W1946, N-(tert-Butoxycarbonyl)-3-pyridin-4-ylalanine, I04-3917, N-(tert-butoxycarbonyl)-3-(pyridin-4-yl)-D,L-alanine, 2-(tert-butoxycarbonylamino)-3-(pyridin-4-yl)propanoic acid, 4-Pyridinepropanoicacid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-(9CI), 4-Pyridinepropanoicacid,a-[[(1,1-dimethylethoxy)carbonyl]amino]-(9ci), Di-O-methylbergenin, Boc-Ala(4-pyridyl)-OH, Boc-D-4-Pal-OH, Boc-L-3-(4-pyridyl)-alanine, C13H18N2O4, C16H20O9, CID3294373, 37535-57-2, (R)-2-((tert-Butoxycarbonyl)amino)-3-(pyridin-4-yl)propanoic acid, 37535-58-3, 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-yl-propanoic Acid, 33815-57-5,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	266.127g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	266.297g/mol
Monoisotopic Mass	266.127g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	88.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

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