AG00H97M

Name: 3-(Piperidinocarbonyl)benzonitrile
Brand: Angene Chemical
SKU: AG00H97M

1003647-40-2 | 3-(Piperidinocarbonyl)benzonitrile

AG00H97M

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CAS Number	1003647-40-2
Catalog Number	AG00H97M(AGN-PC-0WQWU3)
Chemical Name	3-(Piperidinocarbonyl)benzonitrile
IUPAC Name	3-(piperidine-1-carbonyl)benzonitrile
InChI	InChI=1S/C13H14N2O/c14-10-11-5-4-6-12(9-11)13(16)15-7-2-1-3-8-15/h4-6,9H,1-3,7-8H2
InChI Key	VLJJHOCXGISZMY-UHFFFAOYSA-N
MDL Number	MFCD09944120
Molecular Formula	C13H14N2O
Molecular Weight	214.2631
SMILES	O=C(C1=CC(C#N)=CC=C1)N1CCCCC1
Synonyms	3-(piperidine-1-carbonyl)benzonitrile, 3-(piperidin-1-ylcarbonyl)benzonitrile, 1003647-40-2, 3-(Piperidinocarbonyl)benzonitrile, AC1OWXDZ, AC1Q5K4H, SCHEMBL3634940, CTK7C8382, ZINC6401117, AKOS000186001, MCULE-4282092325, NE53247, EN300-36782, ZINC06401117, CID7964062,

Complexity	298
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.111g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	214.268g/mol
Monoisotopic Mass	214.111g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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