AG00123L

1365887-44-0 | 1,3-Piperidinedicarboxylic acid, 5-methyl-, 1-(1,1-dimethylethyl) 3-methyl ester

AG00123L

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CAS Number	1365887-44-0
Catalog Number	AG00123L(AGN-PC-0WNH90)
Chemical Name	1,3-Piperidinedicarboxylic acid, 5-methyl-, 1-(1,1-dimethylethyl) 3-methyl ester
IUPAC Name	1-O-tert-butyl 3-O-methyl 5-methylpiperidine-1,3-dicarboxylate
InChI	InChI=1S/C13H23NO4/c1-9-6-10(11(15)17-5)8-14(7-9)12(16)18-13(2,3)4/h9-10H,6-8H2,1-5H3
InChI Key	VNLLBTSMSLITGU-UHFFFAOYSA-N
MDL Number	MFCD28502783
Molecular Formula	C13H23NO4
Molecular Weight	257.3260
SMILES	O=C(N1CC(C(OC)=O)CC(C)C1)OC(C)(C)C
Synonyms	1-tert-butyl 3-methyl 5-methylpiperidine-1,3-dicarboxylate, 1365887-44-0, SCHEMBL740474, VNLLBTSMSLITGU-UHFFFAOYSA-N, KS-000008SH, MFCD28502783, AKOS030628548, AS-52978, CS-0052364, 3-Methyl 1-Boc-5-methylpiperidine-3-carboxylate, 1-t-Butyl 3-methyl 5-methylpiperidine-1,3-dicarboxylate,

Complexity	321
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.163g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	257.33g/mol
Monoisotopic Mass	257.163g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
UN Code

Certificate of Analysis

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