AG019LUE

Name: 3-[(butylamino)methyl]benzonitrile
Brand: Angene Chemical
SKU: AG019LUE

90390-00-4 | 3-[(butylamino)methyl]benzonitrile

AG019LUE

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CAS Number	90390-00-4
Catalog Number	AG019LUE(AGN-PC-0JRG8D)
Chemical Name	3-[(butylamino)methyl]benzonitrile
IUPAC Name	3-(butylaminomethyl)benzonitrile
InChI	InChI=1S/C12H16N2/c1-2-3-7-14-10-12-6-4-5-11(8-12)9-13/h4-6,8,14H,2-3,7,10H2,1H3
InChI Key	NRMAIIDKOGFGEJ-UHFFFAOYSA-N
MDL Number	MFCD11142457
Molecular Formula	C12H16N2
Molecular Weight	188.2688
SMILES	CCCCNCC1=CC(C#N)=CC=C1
Synonyms	3-(butylaminomethyl)benzonitrile, 90390-00-4, Benzonitrile, 3-((butylamino)methyl)-, Benzonitrile, 3-[(butylamino)methyl]-, AC1L9WWM, SCHEMBL3266433, CHEMBL1182986, CTK5G7762, DTXSID00238129, ZINC5973582, AKOS000234873, 3-[(BUTYLAMINO)METHYL]BENZONITRILE, 3-[(BUTYLAMINO)METHYL]-BENZONITRILE, 90389-66-5, Benzylamine der, AIDS011100, CID457598,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.131g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	188.274g/mol
Monoisotopic Mass	188.131g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	35.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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