AG00E7CG

495415-34-4 | N-Boc-4-cyanopiperidine-4-carboxylic acid/1-(tert-butoxycarbonyl)-4-cyanopiperidine-4-carboxylic acid

AG00E7CG

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CAS Number	495415-34-4
Catalog Number	AG00E7CG(AGN-PC-0OB00G)
Chemical Name	N-Boc-4-cyanopiperidine-4-carboxylic acid/1-(tert-butoxycarbonyl)-4-cyanopiperidine-4-carboxylic acid
IUPAC Name	4-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
InChI	InChI=1S/C12H18N2O4/c1-11(2,3)18-10(17)14-6-4-12(8-13,5-7-14)9(15)16/h4-7H2,1-3H3,(H,15,16)
InChI Key	URBDNSCLBSLLFQ-UHFFFAOYSA-N
MDL Number	MFCD12406601
Molecular Formula	C12H18N2O4
Molecular Weight	254.2823
SMILES	O=C(C1(C#N)CCN(C(OC(C)(C)C)=O)CC1)O
Synonyms	495415-34-4, 1-(tert-Butoxycarbonyl)-4-cyanopiperidine-4-carboxylic acid, N-BOC-4-CYANOPIPERIDINE-4-CARBOXYLIC ACID, 1-tert-butoxycarbonyl-4-cyano-4-piperidinecarboxylic acid, SCHEMBL388054, DTXSID00727826, URBDNSCLBSLLFQ-UHFFFAOYSA-N, ACT09763, MFCD12406601, ZINC66055077, AKOS022172955, FCH1621291, AK140789, AS-36686, 1-Boc-4-cyanopiperidine-4-carboxylic Acid, AB0006597, AJ-115750, AX8266698, CS-0062781, ST24037687, X-2501, 1-(tert-Butoxycarbonyl)-4- cyanopiperidine-4-carboxylic acid, 4-cyano-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester, 4-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid, N-Boc-4-cyanopiperidine-4-carboxylic acid/1-(tert-butoxycarbonyl)-4-cyanopiperidine-4- carboxylic acid, N-Boc-4-cyanopiperidine-4-carboxylic acid/1-(tert-butoxycarbonyl)-4-cyanopiperidine-4-carboxylic acid,

Complexity	394
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.127g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	254.286g/mol
Monoisotopic Mass	254.127g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	90.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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