AG001ZSH

Name: 2-[(Piperazin-1-yl)methyl]benzonitrile
Brand: Angene Chemical
SKU: AG001ZSH

174609-74-6 | 2-[(Piperazin-1-yl)methyl]benzonitrile

AG001ZSH

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CAS Number	174609-74-6
Catalog Number	AG001ZSH(AGN-PC-0QALIY)
Chemical Name	2-[(Piperazin-1-yl)methyl]benzonitrile
IUPAC Name	2-(piperazin-1-ylmethyl)benzonitrile
InChI	InChI=1S/C12H15N3/c13-9-11-3-1-2-4-12(11)10-15-7-5-14-6-8-15/h1-4,14H,5-8,10H2
InChI Key	DVUNFWADPIWIAY-UHFFFAOYSA-N
MDL Number	MFCD04972582
Molecular Formula	C12H15N3
Molecular Weight	201.2676
SMILES	N#CC1=C(CN2CCNCC2)C=CC=C1
Synonyms	174609-74-6, 1-(2-Cyanobenzyl)piperazine, 2-(piperazin-1-ylmethyl)benzonitrile, 2-[(Piperazin-1-yl)methyl]benzonitrile, 2-(1-piperazinylmethyl)benzonitrile, 1-(2-cyano-benzyl)-piperazine, Benzonitrile,2-(1-piperazinylmethyl)-, 1-(2-Cyano-benzyl)piperazine, SCHEMBL8660515, CTK4D5042, KS-00001NNP, DTXSID10588102, MFCD04972582, ZINC19850282, 1-(2-CYANOBENZYL)-PIPERAZINE, AKOS000124823, PS-3121, Benzonitrile, 2-(1-piperazinylmethyl)-, AJ-75362, AN-25329, BP-10182, 2-(piperazin-1-ylmethyl)benzenecarbonitrile, DB-017106, RT-018051, BB 0254336, FT-0760715, M-2226, A811672, I14-33207, C12H15N3,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.127g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	201.273g/mol
Monoisotopic Mass	201.127g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited