1,3-Bis(4′-pyridyl)propane

C₁₃H₁₄N₂CAS 17252-51-6198.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₄N₂
Molar mass: 198.27 g/mol
Exact mass: 198.1157 Da
Melting point: 57–60 °C
Boiling point: 158–162 °C (at 2 Torr)
logP: 2.65Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Danger

H301 Toxic if swallowed19.1% of notifiers
H302 Harmful if swallowed80.6% of notifiers
H312 Harmful in contact with skin80.6% of notifiers
H315 Causes skin irritation97.1% of notifiers
H319 Causes serious eye irritation97.1% of notifiers
H332 Harmful if inhaled80.6% of notifiers
H335 May cause respiratory irritation81.5% of notifiers

Aggregated from 341 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

17252-51-6

SMILES

c1cc(CCCc2ccncc2)ccn1

InChIKey

OGNCVVRIKNGJHQ-UHFFFAOYSA-N

InChI

InChI=1S/C13H14N2/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13/h4-11H,1-3H2

Weigh it out

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

Names and synonyms

12 names

Pyridine, 4,4′-(1,3-propanediyl)bis-
Pyridine, 4,4′-trimethylenedi-
4,4′-(1,3-Propanediyl)bis[pyridine]
1,3-Di-4-pyridylpropane
4,4′-Trimethylenedipyridine
4,4′-Trimethylenebispyridine
1,3-Bis(4-pyridyl)propane
4,4′-Bis(1,3-propanediyl)pyridine
1,3-Bis(4-pyridinyl)propane
NSC 42785
1,3-Bi(4-pyridyl)propane
1,3-Di(pyridin-4-yl)propane

Work with 1,3-Bis(4′-pyridyl)propane

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-(3-Phenylpropyl)pyridine2057-49-083 % similar 1,2-Bis(4-pyridyl)ethane4916-57-875 % similar 4-Pyridinepropanol2629-72-367 % similar 4-Pyridinebutanol5264-15-364 % similar 4-Propylpyridine1122-81-257 % similar 4-Pyridineethanamine13258-63-457 % similar 4-Benzylpyridine2116-65-657 % similar 4-Pyridineethanol5344-27-457 % similar

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

Same formula

4,4′-Methylenedianiline101-77-9 3,4'-Diaminodiphenylmethane19430-83-2 3,3'-Diaminodiphenylmethane19471-12-6 Tacrine321-64-2 1-Phenyl-1-(phenylmethyl)hydrazine614-31-3

Elsewhere

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