N-(2-(4-Chloromethylphenoxy)ethyl)hexahydro-1H-azepine hydrochloride

C₁₅H₂₃Cl₂NOCAS 223251-25-0304.25 g/mol

Open in Covalent MOL file

Alkyl halide Ether Tertiary amine

Properties

Molecular formula: C₁₅H₂₃Cl₂NO
Molar mass: 304.25 g/mol
Exact mass: 303.1157 Da
logP: 4.10Crippen estimate
Polar surface area: 12.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

Hazards

Danger

H302 Harmful if swallowed40% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction40% of notifiers
H318 Causes serious eye damage40% of notifiers
H319 Causes serious eye irritation60% of notifiers
H335 May cause respiratory irritation100% of notifiers
H412 Harmful to aquatic life with long lasting effects40% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

223251-25-0

SMILES

Cl.ClCc1ccc(OCCN2CCCCCC2)cc1

InChIKey

RMVQWASPAGLTRZ-UHFFFAOYSA-N

InChI

InChI=1S/C15H22ClNO.ClH/c16-13-14-5-7-15(8-6-14)18-12-11-17-9-3-1-2-4-10-17;/h5-8H,1-4,9-13H2;1H

Weigh it out

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

Names and synonyms

5 names

1H-Azepine, 1-[2-[4-(chloromethyl)phenoxy]ethyl]hexahydro-, hydrochloride (1:1)
1H-Azepine, 1-[2-[4-(chloromethyl)phenoxy]ethyl]hexahydro-, hydrochloride
4-(2-Azepan-1-ylethoxy)benzyl chloride hydrochloride
2-(4-(Chloromethyl)phenoxy)ethylazepane hydrochloride
1-(2-(4-(Chloromethyl)phenoxy)ethyl)azepane hydrochloride

Work with N-(2-(4-Chloromethylphenoxy)ethyl)hexahydro-1H-azepine hydrochloride

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

4-(2-Piperidinoethoxy)benzoic acid hydrochloride84449-80-955 % similar N-(2-(p-Bromophenoxy)ethyl)pyrrolidine1081-73-853 % similar 4-(2-(Piperidin-1-yl)ethoxy)benzaldehyde26815-04-351 % similar Pramoxine hydrochloride637-58-149 % similar Dyclonine536-43-643 % similar 4-Benzyloxybenzyl chloride836-42-043 % similar 1-(2-Phenoxyethyl)piperazine13484-37-241 % similar 4-(2-Morpholin-4-ylethoxy)aniline52481-41-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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