AG0025P0

177990-33-9 | 1,4-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester

AG0025P0

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CAS Number	177990-33-9
Catalog Number	AG0025P0(AGN-PC-03MWKU)
Chemical Name	1,4-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester
IUPAC Name	4-O-benzyl 1-O-tert-butyl piperidine-1,4-dicarboxylate
InChI	InChI=1S/C18H25NO4/c1-18(2,3)23-17(21)19-11-9-15(10-12-19)16(20)22-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3
InChI Key	QLGMYLVKJUYFDY-UHFFFAOYSA-N
MDL Number	MFCD11975545
Molecular Formula	C18H25NO4
Molecular Weight	319.3954
SMILES	O=C(N1CCC(C(OCC2=CC=CC=C2)=O)CC1)OC(C)(C)C
Synonyms	Benzyl N-Boc-4-piperidinecarboxylate, 177990-33-9, 4-BENZYL 1-TERT-BUTYL PIPERIDINE-1,4-DICARBOXYLATE, PubChem18849, SCHEMBL2374261, KS-00000AGM, DTXSID30623948, QLGMYLVKJUYFDY-UHFFFAOYSA-N, BenzylN-Boc-4-piperidinecarboxylate, 6543AJ, MFCD11975545, ZINC61037713, AKOS015950542, 1,4-PIPERIDINEDICARBOXYLIC ACID 1-(1,1-DIMETHYLETHYL) 4-(PHENYLMETHYL) ESTER, TRA-0178174, Benzyl N-tert-butoxycarbonylisonipecotate, AS-32397, benzyl N-tert-butoxycarbonyl-isonipecotate, CJ-20901, SC-32276, SY007985, AB0063268, AB1001028, AJ-113955, DB-065209, TC-308077, FT-0747269, K-5461, MFCD11975545 (97+%), N-t-butoxycarbonyl isonipecotic acid benzyl ester, 4-Benzyloxycarbonyl-1-tert-butoxycarbonylpiperidine, Benzyl 1-tert-butoxycarbonyl-4-piperidinecarboxylate, 4-benzyl 1 -(tert-butyl) 1,4-piperidinedicarboxylate, Benzyl 1-tert-butyloxycarbonylpiperidine-4-carboxylate, 4-O-benzyl 1-O-tert-butyl piperidine-1,4-dicarboxylate, Pyridine, 2-?(bromomethyl)?-?3-?chloro-?5-?(triflu, 1-(1,1-dimethylethyl) 4-phenylmethyl 1,4-piperidinedicarboxylate, Piperidine-1,4-dicarboxylic acid 4-benzyl ester 1-tert-butyl ester, 1,4-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester, null, C18H25NO4, 1227502-50-2, 13194-68-8,

Complexity	402
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	319.178g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	319.401g/mol
Monoisotopic Mass	319.178g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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