4-(4-Pyridinyl)butyl chloride hydrochloride

C₉H₁₃Cl₂NCAS 149463-65-0206.11 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₉H₁₃Cl₂N
Molar mass: 206.11 g/mol
Exact mass: 205.0425 Da
logP: 3.06Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

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

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

149463-65-0

SMILES

C1=CN=CC=C1CCCCCl.Cl

InChIKey

CIPSBYICMDRGKQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H12ClN.ClH/c10-6-2-1-3-9-4-7-11-8-5-9;/h4-5,7-8H,1-3,6H2;1H

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Names and synonyms

1 names

4-(4-Chlorobutyl)pyridine hydrochloride

Work with 4-(4-Pyridinyl)butyl chloride 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-Picolyl chloride hydrochloride1822-51-157 % similar 1,3-Bis(4′-pyridyl)propane17252-51-656 % similar 1-Chloro-4-phenylbutane4830-93-756 % similar 1-Chloro-8-phenyloctane61440-32-254 % similar 4-(3-Phenylpropyl)pyridine2057-49-050 % similar 4-Pyridinebutanol5264-15-350 % similar 1,2-Bis(4-pyridyl)ethane4916-57-848 % similar 4-Pyridylacetonitrile hydrochloride92333-25-047 % similar

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

Elsewhere

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