4-(2-Chloroethyl)morpholine hydrochloride

C₆H₁₃Cl₂NOCAS 3647-69-6186.08 g/mol

Open in Covalent MOL file

Alkyl halide Ether Tertiary amine

Properties

Molecular formula: C₆H₁₃Cl₂NO
Molar mass: 186.08 g/mol
Exact mass: 185.0374 Da
Melting point: 182–182.5 °C
logP: 0.98Crippen estimate
Polar surface area: 12.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H312 Harmful in contact with skin99% of notifiers
H314 Causes severe skin burns and eye damage99% of notifiers
H317 May cause an allergic skin reaction97.9% of notifiers
H341 Suspected of causing genetic defects11.3% of notifiers
H412 Harmful to aquatic life with long lasting effects50.5% of notifiers

Aggregated from 97 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P270, P272, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P333+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

3647-69-6

SMILES

Cl.ClCCN1CCOCC1

InChIKey

NBJHDLKSWUDGJG-UHFFFAOYSA-N

InChI

InChI=1S/C6H12ClNO.ClH/c7-1-2-8-3-5-9-6-4-8;/h1-6H2;1H

Weigh it out

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

Names and synonyms

13 names · show all

Morpholine, 4-(2-chloroethyl)-, hydrochloride (1:1)
Morpholine, 4-(2-chloroethyl)-, hydrochloride
N-(β-Chloroethyl)morpholine hydrochloride
2-Morpholinoethyl chloride hydrochloride
N-(2-Chloroethyl)morpholine hydrochloride
2-(4-Morpholinyl)ethyl chloride hydrochloride
β-Morpholinoethyl chloride hydrochloride
1-Chloro-2-morpholinoethane hydrochloride
Morpholinoethyl chloride hydrochloride
4-(2-Chloroethyl)morpholinium chloride
4-(2-Chloroethyl)morpholine monohydrochloride
1-(Morpholin-4-yl)-2-chloroethane hydrochloride
1-Chloro-2-(morpholin-4-yl)ethane monohydrochloride

Work with 4-(2-Chloroethyl)morpholine 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-(2-Chloroethyl)morpholine3240-94-6Free base

Similar compounds

4-(3-Chloropropyl)morpholine hydrochloride57616-74-775 % similar 4-(3-Chloropropyl)morpholine7357-67-763 % similar 1-(2-Chloroethyl)pyrrolidine hydrochloride7050-67-161 % similar 1-(2-Chloroethyl)pyrrolidine hydrochloride7250-67-161 % similar 1-(2-Chloroethyl)piperidine hydrochloride2008-75-558 % similar N-(2-Chloroethyl)perhydroazepine hydrochloride26487-67-258 % similar Dimorpholinodiethyl ether6425-39-455 % similar 2.2.2-Cryptand23978-09-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Sevelamer hydrochloride152751-57-0

Elsewhere

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