Dodecylbenzenesulfonyl azide

C₁₈H₂₉N₃O₂SCAS 79791-38-1351.51 g/mol

Open in Covalent MOL file

Azide

Properties

Molecular formula: C₁₈H₂₉N₃O₂S
Molar mass: 351.51 g/mol
Exact mass: 351.1980 Da
logP: 6.15Crippen estimate
Polar surface area: 82.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 13

Hazards

Warning

H302 Harmful if swallowed97.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled97.5% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

79791-38-1

SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)N=[N+]=[N-]

InChIKey

ZCRVPHKAQIHANY-UHFFFAOYSA-N

InChI

InChI=1S/C18H29N3O2S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)24(22,23)21-20-19/h12-13,15-16H,2-11,14H2,1H3

Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+

[M + H]+ Calcd for C18H30N3O2S 352.2053

[M + Na]+

[M + Na]+ Calcd for C18H29N3NaO2S 374.1873

[M − H]−

[M − H]− Calcd for C18H28N3O2S 350.1908

Elemental analysis

Anal. Calcd for C18H29N3O2S: C, 61.51; H, 8.32; N, 11.95; S, 9.12.

Weigh it out

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

Names and synonyms

1 name

2-Dodecylbenzene-1-sulfonyl azide

Work with Dodecylbenzenesulfonyl azide

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

Dipentylbenzene635-89-246 % similar 2-Heptylphenol5284-22-045 % similar Decylbenzene104-72-339 % similar Hexylbenzene1077-16-339 % similar Heptylbenzene1078-71-339 % similar n-Nonylbenzene1081-77-239 % similar Dodecylbenzene123-01-339 % similar Tridecylbenzene123-02-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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