AG003JYB

68104-63-2 | 4-(Piperazin-1-yl)benzonitrile

AG003JYB

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CAS Number	68104-63-2
Catalog Number	AG003JYB(AGN-PC-0KK6AV)
Chemical Name	4-(Piperazin-1-yl)benzonitrile
IUPAC Name	4-piperazin-1-ylbenzonitrile
InChI	InChI=1S/C11H13N3/c12-9-10-1-3-11(4-2-10)14-7-5-13-6-8-14/h1-4,13H,5-8H2
InChI Key	DJJNYEXRPRQXPD-UHFFFAOYSA-N
MDL Number	MFCD01320890
Molecular Formula	C11H13N3
Molecular Weight	187.2410
SMILES	N#CC1=CC=C(N2CCNCC2)C=C1
Synonyms	68104-63-2, 4-(piperazin-1-yl)benzonitrile, 1-(4-Cyanophenyl)piperazine, 4-Piperazinobenzonitrile, 4-piperazin-1-ylbenzonitrile, 4-(1-Piperazinyl)benzonitrile, 1-(4-Cyanophenyl)-piperazine, 4-piperazin-1-yl-benzonitrile, 4-piperazinobenzenecarbonitrile, Benzonitrile, 4-(1-piperazinyl)-, 4-piperazinylbenzenecarbonitrile, 4-cyanophenylpiperazine, PubChem13344, (4-cyanophenyl)piperazin, ACMC-1BFD3, AC1MC04Q, N-(4-cyanophenyl)piperazine, 4-(4-cyanophenyl)piperazine, SCHEMBL231077, 4-(N-Piperazinyl)benzonitrile, 4-piperazine-1-yl benzonitrile, AC1Q4R31, 4-n-(4-cyano phenyl)piperazine, CTK5C7316, KS-00000EDN, 4-(piperazin-1-yl)-benzonitrile, Benzonitrile,4-(1-piperazinyl)-, DJJNYEXRPRQXPD-UHFFFAOYSA-N, ZINC169232, AC-883, ANW-16958, BBL100029, CP-408, MFCD01320890, SBB005810, STL511010, 4-Piperazinobenzonitrile, >=97.0%, AKOS000218064, MCULE-2626600442, RP24738, TRA0046895, AJ-17092, AK-61904, AN-15458, BC220316, BP-10548, SC-26393, SY004174, AB0019919, DB-017321, ST2405460, TR-022794, BB 0248034, FT-0680384, P2449, ST50405811, V0514, Z7768, A23748, A26631, C-5892, MFCD01320890 (97+%), 104C632, 4R-0247, J-515957, S14-2943, F2158-0905, 4-(N-Piperazinyl)benzonitrile;1-(4-Cyanophenyl)piperazine, 1-(2-Cyanophenyl)piperazine, 2-(1-Piperazino)benzonitrile, 1-(2-Cyanophenyl)-piperazine, 2-(piperazin-1-yl)benzonitrile, C11H13N3, CID2733995, Benzonitrile, 4-(1-piperazinyl)- (9CI), 1-(4-Cyanophenyl)piperazine, 97% - 1G 1g, 111373-03-6, 116290-72-3,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.111g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	187.246g/mol
Monoisotopic Mass	187.111g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	39.1A^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
Signal Words	warning
UN Code	\N

Certificate of Analysis

Lot Number