AG003E1S

426842-70-8 | 4-Allyl-1-(tert-butoxycarbonyl)piperidine-4-carboxylic acid

AG003E1S

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CAS Number	426842-70-8
Catalog Number	AG003E1S(AGN-PC-03PCTB)
Chemical Name	4-Allyl-1-(tert-butoxycarbonyl)piperidine-4-carboxylic acid
IUPAC Name	1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-4-carboxylic acid
InChI	InChI=1S/C14H23NO4/c1-5-6-14(11(16)17)7-9-15(10-8-14)12(18)19-13(2,3)4/h5H,1,6-10H2,2-4H3,(H,16,17)
InChI Key	UGTKWOXHHSBNNQ-UHFFFAOYSA-N
MDL Number	MFCD02179130
Molecular Formula	C14H23NO4
Molecular Weight	269.3367
SMILES	O=C(N1CCC(C(O)=O)(CC=C)CC1)OC(C)(C)C
Synonyms	1-Boc-4-allyl-4-piperidinecarboxylic Acid, 426842-70-8, 4-Allyl-1-(tert-butoxycarbonyl)piperidine-4-carboxylic acid, 495414-58-9, 4-Allyl-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester, MLS000911991, SCHEMBL1274933, CHEMBL1555578, CTK5J3805, KS-00000ADG, DTXSID90625862, UGTKWOXHHSBNNQ-UHFFFAOYSA-N, HMS2213E15, HMS3347J12, ZINC2391708, 5089AJ, MFCD02179130, AKOS004910658, TRA0084880, 1-Boc-4-allyl-4-piperidinecarboxylicAcid, ACM426842708, AJ-35752, AS-31660, BBV-41994885, SC-34635, SMR000471333, SY002334, AB0052372, AB1001339, AX8169961, DB-023482, TC-306684, FT-0744096, K-8841, MFCD02179130 (97+%), I12-0529, 1-Boc-4-allyl-4-piperidinecarboxylic acid, AldrichCPR, 1-tert-Butoxycarbonyl-4-allyl-4-piperidinecarboxylic acid, 4-Allylpiperidine-1,4-dicarboxylic acid 1-tert-butyl ester, 1-(TERT-BUTOXYCARBONYL)-4-(PROP-2-EN-1-YL)PIPERIDINE-4-CARBOXYLIC ACID, 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-4-carboxylic acid, 4-(2-Propen-1-yl)-1,4-piperidinedicarboxylic acid 1-(1,1-dimethylethyl) ester, null, C14H23NO4, 1,4-Piperidinedicarboxylicacid,4- -,1- ester, 1166756-79-1,

Complexity	362
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.163g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	269.341g/mol
Monoisotopic Mass	269.163g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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