AG00717U

Name: 2-(Isobutylamino)benzonitrile
Brand: Angene Chemical
SKU: AG00717U

204078-86-4 | 2-(Isobutylamino)benzonitrile

AG00717U

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CAS Number	204078-86-4
Catalog Number	AG00717U(AGN-PC-040T1O)
Chemical Name	2-(Isobutylamino)benzonitrile
IUPAC Name	2-(2-methylpropylamino)benzonitrile
InChI	InChI=1S/C11H14N2/c1-9(2)8-13-11-6-4-3-5-10(11)7-12/h3-6,9,13H,8H2,1-2H3
InChI Key	VVPNLPFXYUZQSI-UHFFFAOYSA-N
MDL Number	MFCD11144635
Molecular Formula	C11H14N2
Molecular Weight	174.2423
SMILES	N#Cc1ccccc1NCC(C)C
Synonyms	2-(Isobutylamino)benzonitrile, 204078-86-4, 2-(2-Methylpropylamino)benzonitrile, 2-[(2-Methylpropyl)amino]benzonitrile, 2-Isobutylaminobenzonitrile, ACMC-209f9v, SCHEMBL7526017, CTK8B1145, DTXSID20632625, VVPNLPFXYUZQSI-UHFFFAOYSA-N, ANW-24065, MFCD11144635, ZINC19921426, AKOS000235761, AJ-75681, CJ-16497, TC-112810, ST24021883, V4215, J3.495.930G, B-8752, C11H14N2,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.116g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	174.247g/mol
Monoisotopic Mass	174.116g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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