AG00BYXP

370864-72-5 | 3-(Piperidin-4-Yl)Benzonitrile

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CAS Number	370864-72-5
Catalog Number	AG00BYXP(AGN-PC-03BPV2)
Chemical Name	3-(Piperidin-4-Yl)Benzonitrile
IUPAC Name	3-piperidin-4-ylbenzonitrile
InChI	InChI=1S/C12H14N2/c13-9-10-2-1-3-12(8-10)11-4-6-14-7-5-11/h1-3,8,11,14H,4-7H2
InChI Key	CSINBIMKXOMGDE-UHFFFAOYSA-N
MDL Number	MFCD03839908
Molecular Formula	C12H14N2
Molecular Weight	186.2530
SMILES	N#CC1=CC(=CC=C1)C1CCNCC1
Synonyms	3-(piperidin-4-yl)benzonitrile, 370864-72-5, 4-(3-Cyanophenyl)piperidine, 3-piperidin-4-ylbenzonitrile, 3-piperidin-4-yl-benzonitrile, 3-(piperidin-4-yl)-benzonitrile, PubChem19629, 3-(4-piperidyl)benzonitrile, SCHEMBL377452, CTK4H7674, DTXSID70614052, Benzonitrile,3-(4-piperidinyl)-, CSINBIMKXOMGDE-UHFFFAOYSA-N, ZINC2512977, 4725AB, ANW-74595, CP-202, MFCD03839908, AKOS006346716, AB16301, RTR-015101, 4-(3-cyanophenyl)piperidine, AldrichCPR, AJ-36739, AN-28612, AS-37363, BP-10952, EN000957, SC-21271, BENZONITRILE, 3-(4-PIPERIDINYL)-, AB0075785, TR-015101, A6376, FT-0655884, X-1947, 864P725, I12-0246, Q-103019, 3- benzonitrile, C12H14N2, 2-Aminomethyl-piperidine-1-carboxylic acid tert-butyl ester, N/A,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.116g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.258g/mol
Monoisotopic Mass	186.116g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35.8A^2
Undefined Atom Stereocenter Count	0
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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