chempirical

Octyl cyanoacrylate

C12H19NO2CAS 6701-17-3209.29 g/mol

Open in Covalent MOL file
NOO
AlkeneEsterNitrile

Properties

Molecular formula
C12H19NO2
Molar mass
209.29 g/mol
Exact mass
209.1416 Da
logP
2.97Crippen estimate
Polar surface area
50.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
8

Identifiers

CAS number
6701-17-3
SMILES
C=C(C#N)C(=O)OCCCCCCCC
InChIKey
RPQUGMLCZLGZTG-UHFFFAOYSA-N
InChI
InChI=1S/C12H19NO2/c1-3-4-5-6-7-8-9-15-12(14)11(2)10-13/h2-9H2,1H3

Weigh it out

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

Names and synonyms

15 names · show all
  • 2-Propenoic acid, 2-cyano-, octyl ester
  • Acrylic acid, 2-cyano-, octyl ester
  • 2-Cyanoacrylic acid, octyl ester
  • Ocrylate
  • Octyl 2-cyanoacrylate
  • n-Octyl 2-cyanoacrylate
  • Capryl α-cyanoacrylate
  • Octyl α-cyanoacrylate
  • Ocrilate
  • n-Octyl α-cyanoacrylate
  • n-Octyl cyanoacrylate
  • Nexaband
  • Nexaderm
  • Colgate orabase soothe-N-seal
  • 1-Octyl 2-cyanoacrylate

Work with Octyl cyanoacrylate

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

Butyl cyanoacrylate6606-65-188 % similar Ethyl cyanoacrylate7085-85-061 % similar Hexyl methacrylate142-09-659 % similar Lauryl methacrylate142-90-559 % similar Tridecyl methacrylate2495-25-259 % similar Stearyl methacrylate32360-05-759 % similar Butyl methacrylate97-88-153 % similar Dibutyl oxalate2050-60-450 % similar

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

Same formula

Mirogabalin1138245-13-2 3,4-Diethoxybenzeneethanamine61381-04-2

Elsewhere

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