N-Propargylmorpholine

C₇H₁₁NOCAS 5799-76-8125.17 g/mol

Open in Covalent MOL file

Alkyne Ether Tertiary amine

Properties

Molecular formula: C₇H₁₁NO
Molar mass: 125.17 g/mol
Exact mass: 125.0841 Da
Density: 1.0009 g/mL (at 20 °C)
Boiling point: 64 °C (at 10 Torr)
logP: -0.05Crippen estimate
Polar surface area: 12.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor33.3% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H311 Toxic in contact with skin33.3% of notifiers
H314 Causes severe skin burns and eye damage33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

5799-76-8

SMILES

C#CCN1CCOCC1

InChIKey

OKDZHAQIKCVKFE-UHFFFAOYSA-N

InChI

InChI=1S/C7H11NO/c1-2-3-8-4-6-9-7-5-8/h1H,3-7H2

Weigh it out

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

Names and synonyms

10 names

3-Morpholino-1-propyne
3-(4-Morpholinyl)-1-propyne
1-Morpholino-2-propyne
Morpholine, 4-(2-propyn-1-yl)-
Morpholine, 4-(2-propynyl)-
4-(2-Propyn-1-yl)morpholine
N-(2-Propynyl)morpholine
3-(N-Morpholinyl)propyne
4-Propargylmorpholine
4-(2-Propynyl)morpholine

Work with N-Propargylmorpholine

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

Dimorpholinodiethyl ether6425-39-450 % similar 3-Dibutylamino-1-propyne6336-58-948 % similar 2.2.2-Cryptand23978-09-848 % similar 4-Propargylthiomorpholine 1,1-dioxide10442-03-246 % similar Dimorpholinomethane5625-90-145 % similar 2-Propyn-1-amine, N,N-diethyl-, radical ion(1+)125678-52-644 % similar Diethylpropargylamine4079-68-944 % similar Bis-propargyl-peg131351373-50-642 % similar

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

Same formula

Cyclohexyl isocyanate3173-53-3 2-Azabicyclo(2.2.2)octan-3-one3306-69-2 Pivaloylacetonitrile59997-51-2 1,5-Dihydro-3-ethyl-4-methyl-2H-pyrrol-2-one766-36-9 1-Hydroxycyclohexanecarbonitrile931-97-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook