AG00C8RF

Name: 3,3-Dimethylbutanenitrile
Brand: Angene Chemical
SKU: AG00C8RF

3302-16-7 | 3,3-Dimethylbutanenitrile

AG00C8RF

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CAS Number	3302-16-7
Catalog Number	AG00C8RF(AGN-PC-0JN9O4)
Chemical Name	3,3-Dimethylbutanenitrile
IUPAC Name	3,3-dimethylbutanenitrile
InChI	InChI=1S/C6H11N/c1-6(2,3)4-5-7/h4H2,1-3H3
InChI Key	XFOWYEKVIRMOBI-UHFFFAOYSA-N
MDL Number	MFCD03413127
Molecular Formula	C6H11N
Molecular Weight	97.1582
NSC Number	1079
SMILES	CC(C)(C)CC#N
Synonyms	tert-butylacetonitrile, 3,3-dimethylbutanenitrile, 3302-16-7, 3,3-Dimethylbutyronitrile, tert-butylacetonitrile, 3,3-Dimethyl-butyronitrile, Butanenitrile, 3,3-dimethyl-, NSC1079, t-butylacetonitrile, AC1Q4RZD, Butanenitrile,3-dimethyl-, Butanenitrile,3,3-dimethyl-, AC1L573I, ARONIS023611, CTK4G9749, DTXSID20277191, NSC-1079, ZINC1587819, MFCD03413127, SBB080369, 3,3-Dimethylbutanenitrile, AldrichCPR, AKOS005110942, AJ-27627, CJ-25374, TR-032375, BB 0261078, X4017, Z-4920, J-018981, I14-27545, C6H11N, AR-1L6168, CID219602, 3785-44-2,

Complexity	88.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	97.089g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	97.161g/mol
Monoisotopic Mass	97.089g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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