AG001TL0

Name: 4-(4-(Hydroxymethyl)piperidin-1-yl)benzonitrile
Brand: Angene Chemical
SKU: AG001TL0

162997-46-8 | 4-(4-(Hydroxymethyl)piperidin-1-yl)benzonitrile

AG001TL0

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CAS Number	162997-46-8
Catalog Number	AG001TL0(AGN-PC-02CITB)
Chemical Name	4-(4-(Hydroxymethyl)piperidin-1-yl)benzonitrile
IUPAC Name	4-[4-(hydroxymethyl)piperidin-1-yl]benzonitrile
InChI	InChI=1S/C13H16N2O/c14-9-11-1-3-13(4-2-11)15-7-5-12(10-16)6-8-15/h1-4,12,16H,5-8,10H2
InChI Key	FVDXAMHRFMBLPT-UHFFFAOYSA-N
MDL Number	MFCD08689746
Molecular Formula	C13H16N2O
Molecular Weight	216.2789
SMILES	OCC2(CCN(C1(=CC=C(C#N)C=C1))CC2)
Synonyms	162997-46-8, 4-(4-(Hydroxymethyl)piperidin-1-yl)benzonitrile, 4-[4-(Hydroxymethyl)piperidin-1-yl]benzonitrile, 4-[4-(Hydroxymethyl)piperidino]benzenecarbonitrile, SCHEMBL9176367, CTK8A3105, DTXSID80598637, FVDXAMHRFMBLPT-UHFFFAOYSA-N, KS-000025CI, ZINC8729994, 8277AA, ANW-55250, MFCD08689746, SBB095304, AKOS005072578, GA-0715, MCULE-5447406278, RP12533, hydroxymethylpiperidinobenzenecarbonitrile, AJ-58970, TR-064823, 1-(4-Cyanophenyl)-4-hydroxymethyl-piperidine, 4-[4-(hydroxymethyl)piperidyl]benzenecarbonitrile, J-513413, Benzonitrile, 4-[4-(hydroxymethyl)-1-piperidinyl]-, C13H16N2O,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.126g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	216.284g/mol
Monoisotopic Mass	216.126g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	47.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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