3-Dibutylamino-1-propyne

C₁₁H₂₁NCAS 6336-58-9167.30 g/mol

Open in Covalent MOL file

Alkyne Tertiary amine

Properties

Molecular formula: C₁₁H₂₁N
Molar mass: 167.30 g/mol
Exact mass: 167.1674 Da
logP: 2.52Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 7

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, 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

6336-58-9

SMILES

CCCCN(CCCC)CC#C

InChIKey

XTEBRELWTGWYDE-UHFFFAOYSA-N

InChI

InChI=1S/C11H21N/c1-4-7-10-12(9-6-3)11-8-5-2/h3H,4-5,7-11H2,1-2H3

Weigh it out

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

Work with 3-Dibutylamino-1-propyne

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

Tributylamine102-82-955 % similar 1-Butylpyrrolidine767-10-252 % similar 2-Propyn-1-amine, N,N-diethyl-, radical ion(1+)125678-52-652 % similar Diethylpropargylamine4079-68-952 % similar N-Propargylmorpholine5799-76-848 % similar 1-Hexyne693-02-748 % similar 1-Heptyne628-71-746 % similar Tripentylamine621-77-246 % similar

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

Same formula

Undecanenitrile2244-07-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook