Octenidine dihydrochloride

C₃₆H₆₄Cl₂N₄CAS 70775-75-6623.84 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃₆H₆₄Cl₂N₄
Molar mass: 623.84 g/mol
Exact mass: 622.4508 Da
Melting point: 215–217 °C
logP: 10.48Crippen estimate
Polar surface area: 34.6 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 25

Hazards

Warning

H302 Harmful if swallowed98.6% of notifiers
H312 Harmful in contact with skin77.1% of notifiers
H315 Causes skin irritation97.1% of notifiers
H319 Causes serious eye irritation97.1% of notifiers
H332 Harmful if inhaled80% of notifiers
H335 May cause respiratory irritation80% of notifiers
H400 Very toxic to aquatic life12.9% of notifiers
H410 Very toxic to aquatic life with long lasting effects14.3% of notifiers
H412 Harmful to aquatic life with long lasting effects78.6% of notifiers

Aggregated from 70 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

70775-75-6

SMILES

CCCCCCCCN=c1ccn(CCCCCCCCCCn2ccc(=NCCCCCCCC)cc2)cc1.Cl.Cl

InChIKey

SMGTYJPMKXNQFY-UHFFFAOYSA-N

InChI

InChI=1S/C36H62N4.2ClH/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2;;/h23-26,31-34H,3-22,27-30H2,1-2H3;2*1H

Weigh it out

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

Names and synonyms

8 names

1-Octanamine, N,N′-(1,10-decanediyldi-1(4H)-pyridinyl-4-ylidene)bis-, hydrochloride (1:2)
1-Octanamine, N,N′-(1,10-decanediyldi-1(4H)-pyridinyl-4-ylidene)bis-, dihydrochloride
Octenidine hydrochloride
Octeniderm
Neo kodan
Win 41464-2
Octenilin
Octenidol

Work with Octenidine dihydrochloride

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

N-Octylpyridin-4-amine64690-19-353 % similar 1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride114569-84-538 % similar 1-Hexyl-3-methylimidazolium chloride171058-17-638 % similar 1-Decyl-3-methylimidazolium chloride171058-18-738 % similar 1-Octyl-3-methylimidazolium chloride64697-40-138 % similar 1-Hexadecyl-3-methylimidazolium bromide132361-22-935 % similar 1-Decyl-3-methylimidazolium bromide188589-32-435 % similar 1-Tetradecyl-3-methylimidazolium bromide471907-87-635 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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