chempirical

cis-2-tert-Butyl-2-butenedinitrile

C8H10N2CAS 169309-80-2134.18 g/mol

Open in Covalent MOL file
NN
AlkeneNitrile

Properties

Molecular formula
C8H10N2
Molar mass
134.18 g/mol
Exact mass
134.0844 Da
logP
2.01Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0
Double bonds
ZE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
169309-80-2
SMILES
CC(C)(C)/C(=C/C#N)/C#N
InChIKey
WGGPUYXDGYTCJX-QPJJXVBHSA-N
InChI
InChI=1S/C8H10N2/c1-8(2,3)7(6-10)4-5-9/h4H,1-3H3/b7-4+

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with cis-2-tert-Butyl-2-butenedinitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

tert-Butylcyanoketene29342-22-137 % similar 3-Amino-2-butenenitrile1118-61-234 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Methyl-6,7-dihydro-5H-cyclopentapyrazine23747-48-0 5,6,7,8-Tetrahydroquinoxaline34413-35-9 1,2,3,4-Tetrahydroquinoxaline3476-89-9

Elsewhere

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