AG007G49

104882-22-6 | 1-Naphthalenepropanoic acid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-

AG007G49

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CAS Number	104882-22-6
Catalog Number	AG007G49(AGN-PC-0OTYH7)
Chemical Name	1-Naphthalenepropanoic acid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-
IUPAC Name	2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-ylpropanoic acid
InChI	InChI=1S/C18H21NO4/c1-18(2,3)23-17(22)19-15(16(20)21)11-13-9-6-8-12-7-4-5-10-14(12)13/h4-10,15H,11H2,1-3H3,(H,19,22)(H,20,21)
InChI Key	KHHIGWRTNILXLL-UHFFFAOYSA-N
MDL Number	MFCD01883029
Molecular Formula	C18H21NO4
Molecular Weight	315.3636
SMILES	O=C(O)C(NC(OC(C)(C)C)=O)CC1=C2C=CC=CC2=CC=C1
Synonyms	104882-22-6, boc-dl-1-naphthylalanine, 2-((tert-Butoxycarbonyl)amino)-3-(naphthalen-1-yl)propanoic acid, 2-tert-Butoxycarbonylamino-3-naphthalen-1-yl-propionic acid, 1-Naphthalenepropanoic acid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-, 2-tert-butoxycarbonylamino-3-naphthalen-1-ylpropanoic acid, 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-ylpropanoic acid, AK-50109, ACMC-20apwo, AC1MMJJ1, ACMC-209p6v, N-(tert-Butoxycarbonyl)-3-naphthalen-1-ylalanine, SCHEMBL4122289, CTK4A3444, DTXSID20390773, KHHIGWRTNILXLL-UHFFFAOYSA-N, 2-(tert-butoxycarbonylamino)-3-(naphthalen-1-yl)propanoic acid, 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-yl-propanoic Acid, AKOS005349952, TRA0080573, VA50120, AK401347, DS-13235, SC-62591, FT-0766954, A801087, 2-tert-Butoxycarbonylamino-3-(1-naphthyl)propionic acid, 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(1-naphthalenyl)propanoic acid, Boc-D-1-Nal-OH, Boc-1-Nal-OH, Boc-3-(1-naphthyl)-D-alanine, (S)-N-Boc-1-Naphthylalanine, CID3262019, N-(tert-Butoxycarbonyl)-3-(1-naphthyl)-D-alanine, 76932-48-4, 2-[(tert-butoxycarbonyl)amino]-3-naphthalen-1-ylpropanoic acid, 55447-00-2, N/A,

Complexity	429
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	315.147g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	315.369g/mol
Monoisotopic Mass	315.147g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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