1-Octanoylbenzotriazole

C₁₄H₁₉N₃OCAS 58068-80-7245.33 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₉N₃O
Molar mass: 245.33 g/mol
Exact mass: 245.1528 Da
logP: 3.43Crippen estimate
Polar surface area: 47.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 6

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

58068-80-7

SMILES

CCCCCCCC(=O)N1C2=CC=CC=C2N=N1

InChIKey

QIYQQEDMCSJOAC-UHFFFAOYSA-N

InChI

InChI=1S/C14H19N3O/c1-2-3-4-5-6-11-14(18)17-13-10-8-7-9-12(13)15-16-17/h7-10H,2-6,11H2,1H3

Weigh it out

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

Names and synonyms

1 names

1-(1H-Benzo[d][1,2,3]triazol-1-yl)octan-1-one

Work with 1-Octanoylbenzotriazole

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

Heptanophenone1671-75-642 % similar Octanophenone1674-37-942 % similar Dodecanophenone1674-38-042 % similar Nonanophenone6008-36-242 % similar Decanophenone6048-82-442 % similar 1H-Benzotriazole-1-propanoic acid654-15-940 % similar Hexanophenone942-92-740 % similar Phenyl stearate637-55-840 % similar

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

Same formula

Ramifenazone3615-24-5 Oxolamine959-14-8

Elsewhere

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