Diethylpropargylamine

C₇H₁₃NCAS 4079-68-9111.19 g/mol

Open in Covalent MOL file

Alkyne Tertiary amine

Properties

Molecular formula: C₇H₁₃N
Molar mass: 111.19 g/mol
Exact mass: 111.1048 Da
Density: 0.8042 g/mL (at 25 °C)
Boiling point: 120 °C
logP: 0.96Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H225 Highly Flammable liquid and vapor71.2% of notifiers
H226 Flammable liquid and vapor27.7% of notifiers
H302 Harmful if swallowed100% of notifiers
H311 Toxic in contact with skin97.7% of notifiers
H314 Causes severe skin burns and eye damage72.3% of notifiers
H315 Causes skin irritation27.7% of notifiers
H318 Causes serious eye damage49.2% of notifiers
H319 Causes serious eye irritation27.7% of notifiers
H331 Toxic if inhaled80.3% of notifiers
H412 Harmful to aquatic life with long lasting effects53.4% of notifiers

Aggregated from 264 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, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

4079-68-9

SMILES

C#CCN(CC)CC

InChIKey

JZJXKEWVUBVOEH-UHFFFAOYSA-N

InChI

InChI=1S/C7H13N/c1-4-7-8(5-2)6-3/h1H,5-7H2,2-3H3

Weigh it out

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

Names and synonyms

13 names · show all

3-(Diethylamino)-1-propyne
Propargyldiethylamine
2-Propyn-1-amine, N,N-diethyl-
2-Propynylamine, N,N-diethyl-
N,N-Diethyl-2-propyn-1-amine
3-(Diethylamino)propyne
N,N-Diethylpropargylamine
3-(N,N-Diethylamino)propyne
N,N-Diethyl-2-propynylamine
1-(Diethylamino)-2-propyne
NSC 63868
Golpanol DEP
Dietylaminopropin

Work with Diethylpropargylamine

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 Boiling point under vacuumAt any pressure, from its normal boiling point 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.

2-Propyn-1-amine, N,N-diethyl-, radical ion(1+)125678-52-6

Similar compounds

3-Dibutylamino-1-propyne6336-58-952 % similar 2-(Diethylamino)acetonitrile3010-02-448 % similar N,N-Dimethylpropargylamine7223-38-345 % similar Triethylamine121-44-844 % similar N-Propargylmorpholine5799-76-844 % similar N,N,N′,N′-Tetraethylethylenediamine150-77-640 % similar 1,4-Diethylpiperazine6483-50-740 % similar 4-Propargylthiomorpholine 1,1-dioxide10442-03-239 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Quinuclidine100-76-5 (Dicyclopropylmethyl)amine13375-29-6 Diallylmethylamine2424-01-3 Heptanenitrile629-08-3 6,6-Dimethyl-3-azabicyclo[3.1.0]hexane boceprevir key intermediate943516-54-9

Elsewhere

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