AG002DO2

189442-92-0 | 1-Piperidinecarboxylic acid, 4-formyl-4-methyl-, 1,1-dimethylethyl ester

AG002DO2

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CAS Number	189442-92-0
Catalog Number	AG002DO2(AGN-PC-03MS0L)
Chemical Name	1-Piperidinecarboxylic acid, 4-formyl-4-methyl-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 4-formyl-4-methylpiperidine-1-carboxylate
InChI	InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-7-5-12(4,9-14)6-8-13/h9H,5-8H2,1-4H3
InChI Key	LMKGOFDRKIAUPZ-UHFFFAOYSA-N
MDL Number	MFCD08062517
Molecular Formula	C12H21NO3
Molecular Weight	227.3000
SMILES	CC1(C=O)CCN(C(OC(C)(C)C)=O)CC1
Synonyms	1-Boc-4-Formyl-4-methylpiperidine, 189442-92-0, TERT-BUTYL 4-FORMYL-4-METHYLPIPERIDINE-1-CARBOXYLATE, 1-Boc-4-Formyl-4-methyl-piperidine, 1-Piperidinecarboxylic acid, 4-formyl-4-methyl-, 1,1-dimethylethyl ester, SCHEMBL1475537, CTK4E0134, DTXSID20623836, LMKGOFDRKIAUPZ-UHFFFAOYSA-N, KS-000006TZ, ANW-73904, MFCD08062517, ZINC14984808, AKOS016000206, CS-W019013, PB26317, RP27712, AJ-66230, AK-31336, AS-30787, CJ-14796, SC-20953, 1-?Boc-?4-?Formyl-?4-?methylpiperidine, AB0064034, DB-065691, ST2415188, TC-162649, 4CH-014495, FT-0744269, Z4340, Q-1624, J-504374, 1-Piperidinecarboxylicacid, 4-formyl-4-methyl-, 1,1-dimethylethyl ester, 4-FORMYL-4-METHYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, C12H21NO3, 1-tert-Butoxycarbonyl-4-methylpiperidine-4-carboxaldehyde,

Complexity	273
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.152g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	227.304g/mol
Monoisotopic Mass	227.152g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

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