AG00GRVO

885069-22-7 | 1-N-Cbz-3-cyanopiperidine

AG00GRVO

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CAS Number	885069-22-7
Catalog Number	AG00GRVO(AGN-PC-051MBK)
Chemical Name	1-N-Cbz-3-cyanopiperidine
IUPAC Name	benzyl 3-cyanopiperidine-1-carboxylate
InChI	InChI=1S/C14H16N2O2/c15-9-13-7-4-8-16(10-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-8,10-11H2
InChI Key	GTUBNUQWSDFBEE-UHFFFAOYSA-N
MDL Number	MFCD04115339
Molecular Formula	C14H16N2O2
Molecular Weight	244.2890
SMILES	N#CC1CN(C(OCC2=CC=CC=C2)=O)CCC1
Synonyms	885069-22-7, 1-cbz-3-cyanopiperidine, benzyl 3-cyanopiperidine-1-carboxylate, 1-N-Cbz-3-cyano-piperidine, 1-n-cbz-3-cyanopiperidine, 1-n-cbz-piperidine-3-carbonitrile, benzyl-3-cyanopiperidine-1-carboxylate, AK-38984, 3-cyano-piperidine-1-carboxylic acid benzyl ester, (S)-BENZYL 3-CYANOPIPERIDINE-1-CARBOXYLATE, PubChem14065, 1-cbz-3-cyano-piperidine, 1-N-Cbz-3-cycano-piperidine, SCHEMBL1437263, CTK7C8884, DTXSID40660829, GTUBNUQWSDFBEE-UHFFFAOYSA-N, 1-PIPERIDINECARBOXYLIC ACID, 3-CYANO-, PHENYLMETHYL ESTER, ACT05244, KS-00001AY5, ANW-48183, MFCD04115339, RW1075, AKOS005258715, AB19916, AC-9236, AN-7223, CC-1076, CS-W006987, FCH2717313, FS-2295, RP05973, RTC-020409, BR-38984, SC-41246, AB0007661, AX8029813, DB-031516, ST2403392, TC-020409, FT-0630116, W9085, S-2758, 3-cyanopiperidine-1-carboxylic acid benzyl ester, 069C227, I12-0312, J-519788, 1-Piperidinecarboxylic acid,3-cyano-,phenylmethylester, 3-Cyanopiperidine-1-carboxylic acid benzyl ester;benzyl 3-cyanopiperidine-1-carboxylate, C14H16N2O2, ACN-031022, 1-METHYL-PIPERIDINE-3-CARBONITRILE, A10553, 1359722-09-0,

Complexity	328
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.121g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	244.294g/mol
Monoisotopic Mass	244.121g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	53.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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