AG000L05

123730-64-3 | 4-Piperidinecarboxylic acid, 4-cyano-, ethyl ester, hydrochloride (1:1)

AG000L05

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CAS Number	123730-64-3
Catalog Number	AG000L05(AGN-PC-0WANIG)
Chemical Name	4-Piperidinecarboxylic acid, 4-cyano-, ethyl ester, hydrochloride (1:1)
IUPAC Name	ethyl 4-cyanopiperidine-4-carboxylate;hydrochloride
InChI	InChI=1S/C9H14N2O2.ClH/c1-2-13-8(12)9(7-10)3-5-11-6-4-9;/h11H,2-6H2,1H3;1H
InChI Key	ZLMPLZLHGNPJTA-UHFFFAOYSA-N
MDL Number	MFCD24387236
Molecular Formula	C9H15ClN2O2
Molecular Weight	218.6806
SMILES	O=C(C1(C#N)CCNCC1)OCC.[H]Cl
Synonyms	Ethyl 4-cyanopiperidine-4-carboxylate hydrochloride, 123730-64-3, AK165800, SCHEMBL1283011, KS-00000SUF, ZLMPLZLHGNPJTA-UHFFFAOYSA-N, MFCD24387236, AKOS025290412, DS-9035, 4-Piperidinecarboxylic acid, 4-cyano-, ethyl ester, hydrochloride (1:1), ethyl 4-cyanopiperidine-4-carboxylate hcl,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.082g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	218.681g/mol
Monoisotopic Mass	218.082g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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