chempirical

Diethylpropargylamine

C7H13NCAS 4079-68-9111.19 g/mol

Open in Covalent MOL file
N
AlkyneTertiary 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 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

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

12 names
  • 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

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

Similar compounds

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 1-Butyne107-00-638 % similar Triethylamine monohydrochloride554-68-738 % similar

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

Same formula

Quinuclidine100-76-5 2-Propyn-1-amine, N,N-diethyl-, radical ion(1+)125678-52-6 α-Cyclopropylcyclopropanemethanamine13375-29-6 Diallylmethylamine2424-01-3 Heptanenitrile629-08-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook