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IUPAC name:
2,2,4-trimethylhexanedinitrile; 2,4,4-trimethylhexanedinitrile

Inventory

EC number:
283-810-9
EC name:
2,2,4(or 2,4,4)-trimethylhexanedinitrile
CAS number:
84713-17-7
CAS number:
84713-17-7
Synonyms
Names:
2,2,4-(or 2,4,4)-Trimethyl adipic acid dinitrile
2,2,4-(or 2,4,4)-Trimethyl adipodinitrile
2,2,4(or 2,4,4)-Trimethylhexanedinitrile

Molecular and structural information

Molecular formula:
C9H14N2
Molecular weight:
150.23
SMILES notation:
2,2,4 isomer: N#CC(C)(C)CC(C)CC#N
2,4,4 isomer: N#CC(C)CC(C)(C)CC#N
InChl:
2,2,4 isomer: InChI=1S/C9H14N2/c1-8(4-5-10)6-9(2,3)7-11/h8H,4,6H2,1-3H3
2,4,4 isomer: InChI=1S/C9H14N2/c1-8(7-11)6-9(2,3)4-5-10/h8H,4,6H2,1-3H3
Structural formula:
Chemical structure

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