AG00DJMN

Name: 3-Methylcrotononitrile
Brand: Angene Chemical
SKU: AG00DJMN

4786-24-7 | 3-Methylcrotononitrile

AG00DJMN

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CAS Number	4786-24-7
Catalog Number	AG00DJMN(AGN-PC-0JM0LZ)
Chemical Name	3-Methylcrotononitrile
EC Number	225-336-7
IUPAC Name	3-methylbut-2-enenitrile
InChI	InChI=1S/C5H7N/c1-5(2)3-4-6/h3H,1-2H3
InChI Key	AUGKLUNRHYPDAM-UHFFFAOYSA-N
MDL Number	MFCD00040421
Molecular Formula	C5H7N
Molecular Weight	81.1158
NSC Number	221457
SMILES	CC(=CC#N)C
UNII	KLX2QO8EUY
Synonyms	3-methyl-2-butenenitrile, Me-butenenitrile, 3-methylbut-2-enenitrile, 4786-24-7, 3-Methyl-2-butenenitrile, 3-METHYLCROTONONITRILE, 2-Butenenitrile, 3-methyl-, KLX2QO8EUY, UNII-KLX2QO8EUY, AUGKLUNRHYPDAM-UHFFFAOYSA-N, 2-Butenenitrile,3-methyl-, senecionitrile, EINECS 225-336-7, NSC221457, beta-methylcrotononitrile, AC1L3RXQ, 3,3-dimethyl acrylonitrile, AC1Q4Q5T, (CH3)2C=CHCN, CTK4J0390, DTXSID40197307, ZINC1756010, AKOS009156809, MCULE-7179601066, NE17463, NSC-221457, SB22538, SC-47932, TX-016765, FT-0650547, A1-01108, Z1569715450, dimethylacrylonitrile, C5-H7-N, CID94301, AR-1F4393, 506-35-4,

Complexity	98.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	81.058g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	81.118g/mol
Monoisotopic Mass	81.058g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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