5-Ethyl-2-methylpyridine borane

C₈H₁₁BNCAS 1006873-58-0131.99 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₁BN
Molar mass: 131.99 g/mol
Exact mass: 132.0985 Da
logP: 1.57Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed99% of notifiers
H311 Toxic in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage99% of notifiers
H317 May cause an allergic skin reaction99% of notifiers
H318 Causes serious eye damage99% of notifiers
H331 Toxic if inhaled99% of notifiers

Aggregated from 105 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

1006873-58-0

SMILES

[B].CCC1=CN=C(C=C1)C

InChIKey

VPEPQDBAIMZCGV-UHFFFAOYSA-N

InChI

InChI=1S/C8H11N.B/c1-3-8-5-4-7(2)9-6-8;/h4-6H,3H2,1-2H3;

Weigh it out

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

Names and synonyms

1 names

5-Ethyl-2-methylpyridine borane complex

Work with 5-Ethyl-2-methylpyridine borane

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.

5-Ethyl-2-methylpyridine104-90-5Free base

Similar compounds

(6-Methylpyridin-3-yl)methanol34107-46-555 % similar 2-Ethenyl-5-ethylpyridine5408-74-246 % similar 5-Ethyl-2-pyridineethanol5223-06-344 % similar 2-Ethyl-5-methylpyrazine13360-64-044 % similar 2,5-Dimethylpyridine589-93-543 % similar 1,4-Diethylbenzene105-05-542 % similar 5-Ethylpicolinic acid770-08-142 % similar 2-Chloro-5-ethylpyrimidine111196-81-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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