AG000GPD

115655-41-9 | 1,4-Piperidinedicarboxylic acid, 4-amino-, 1-(phenylmethyl) ester

AG000GPD

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CAS Number	115655-41-9
Catalog Number	AG000GPD(AGN-PC-001QI3)
Chemical Name	1,4-Piperidinedicarboxylic acid, 4-amino-, 1-(phenylmethyl) ester
IUPAC Name	4-amino-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
InChI	InChI=1S/C14H18N2O4/c15-14(12(17)18)6-8-16(9-7-14)13(19)20-10-11-4-2-1-3-5-11/h1-5H,6-10,15H2,(H,17,18)
InChI Key	IGBNRWWMKJGMLH-UHFFFAOYSA-N
MDL Number	MFCD03425218
Molecular Formula	C14H18N2O4
Molecular Weight	278.3037
SMILES	O=C(C1(N)CCN(C(OCC2=CC=CC=C2)=O)CC1)O
Synonyms	115655-41-9, 4-Amino-1-Cbz-piperidine-4-carboxylic acid, 4-Amino-1-Cbz-isonipecotic acid, 4-amino-1-[(benzyloxy)carbonyl]piperidine-4-carboxylic acid, 4-amino-1-(benzyloxycarbonyl)piperidine-4-carboxylic acid, 4-Amino-piperidine-1,4-dicarboxylic acid monobenzyl ester, 4-amino-1-((benzyloxy)carbonyl)piperidine-4-carboxylic acid, Q-102239, 1,4-Piperidinedicarboxylicacid, 4-amino-, 1-(phenylmethyl) ester, IGBNRWWMKJGMLH-UHFFFAOYSA-N, ACMC-209y9r, 4,4-acp(1-n-z), SCHEMBL6984069, CTK4A9425, DTXSID40561423, CS-D0315, ZINC2576118, ABP000976, ANW-48685, MFCD03425218, AKOS015854686, AC-7228, AN-9242, CA-1888, FCH2718711, PB17310, RTC-061026, AJ-42479, AK-47743, AS-35881, BR-47743, SC-25130, SY005258, AB0034890, AB1000407, AX8093546, ST2405511, TC-061026, 1-Cbz-4-amino-piperidine-4-carboxylic acid, FT-0653178, X9120, N-Carbobenzyloxy-4-amino-4-carboxy-piperidine, A23586, S-3753, MFCD03425218 (97+%), I12-0303, 4-amino-1-benzyloxycarbonyl-piperidine-4-carboxylic acid, null, C14H18N2O4, 1,4-Piperidinedicarboxylic acid, 4-amino-, 1-(phenylmethyl) ester,

Complexity	358
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	278.127g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	278.308g/mol
Monoisotopic Mass	278.127g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	92.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.7

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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