2-Chloromethyl-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride

C₁₁H₁₇Cl₂NO₂CAS 153259-31-5266.16 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₁₁H₁₇Cl₂NO₂
Molar mass: 266.16 g/mol
Exact mass: 265.0636 Da
logP: 2.97Crippen estimate
Polar surface area: 31.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 6

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation75% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation75% of notifiers
H350 May cause cancer25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

153259-31-5

SMILES

COCCCOc1ccnc(CCl)c1C.Cl

InChIKey

MNVYUQSFAJMSCS-UHFFFAOYSA-N

InChI

InChI=1S/C11H16ClNO2.ClH/c1-9-10(8-12)13-5-4-11(9)15-7-3-6-14-2;/h4-5H,3,6-8H2,1-2H3;1H

Weigh it out

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

Names and synonyms

4 names

Pyridine, 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methyl-, hydrochloride (1:1)
Pyridine, 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methyl-, hydrochloride
C 686
2-Chloromethyl-3-methyl-4-(3-methoxypropoxy)pyridine hydrochloride

Work with 2-Chloromethyl-4-(3-methoxypropoxy)-3-methylpyridine 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.

2-(Chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine117977-20-5Free base

Similar compounds

2-Hydroxymethyl-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride675198-19-373 % similar 4-(3-Methoxypropoxy)-3-methyl-2-pyridinemethanol118175-10-367 % similar 2-Chloromethyl-4-methoxy-3-methylpyridine hydrochloride124473-12-765 % similar 2-(Chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine hydrochloride127337-60-460 % similar 2-(Chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine128430-66-054 % similar Rabeprazole-thioether117977-21-650 % similar 2-Chloromethyl-3,4-dimethoxypyridinium chloride72830-09-249 % similar Rabeprazole117976-89-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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