Benzonatate

C₃₀H₅₃NO₁₁CAS 104-31-4603.75 g/mol

Open in Covalent MOL file

Ester Ether Secondary amine

Properties

Molecular formula: C₃₀H₅₃NO₁₁
Molar mass: 603.75 g/mol
Exact mass: 603.3619 Da
logP: 2.83Crippen estimate
Polar surface area: 121.4 Å²
H-bond donors / acceptors: 1 / 12
Rotatable bonds: 32

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers
H412 Harmful to aquatic life with long lasting effects50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

104-31-4

SMILES

CCCCNc1ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1

InChIKey

MAFMQEKGGFWBAB-UHFFFAOYSA-N

InChI

InChI=1S/C30H53NO11/c1-3-4-9-31-29-7-5-28(6-8-29)30(32)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2/h5-8,31H,3-4,9-27H2,1-2H3

Weigh it out

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

Names and synonyms

14 names · show all

Benzoic acid, 4-(butylamino)-, 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester
Benzoic acid, p-(butylamino)-, 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl ester
Benzoic acid, p-(butylamino)-, ester with 2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-ol
Benzononantin
Benzononatine
Tessalon
Tessalon-ciba
Ventussin-loz
Exangit
KM 65
Tesalon
Tessalin
Ventussin
2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl 4-(butylamino)benzoate

Work with Benzonatate

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

Ethyl 4-(butylamino)benzoate94-32-670 % similar Amethocaine94-24-669 % similar Tetracaine hydrochloride136-47-065 % similar Hydroxytetracaine490-98-249 % similar Dibutoxy ethyl phthalate117-83-947 % similar Butyl 4-aminobenzoate94-25-747 % similar Butylparaben94-26-847 % similar Butyl benzoate136-60-747 % similar

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

Elsewhere

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