chempirical

1-[3-(Dimethylamino)propyl]-3-ethylcarbodiimide methiodide

C9H20IN3CAS 22572-40-3297.18 g/mol

Open in Covalent MOL file
NNN+I−
Quaternary ammonium

Properties

Molecular formula
C9H20IN3
Molar mass
297.18 g/mol
Exact mass
297.0702 Da
Melting point
106 °C
logP
-1.72Crippen estimate
Polar surface area
24.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
22572-40-3
SMILES
CCN=C=NCCC[N+](C)(C)C.[I-]
InChIKey
AGSKWMRPXWHSPF-UHFFFAOYSA-M
InChI
InChI=1S/C9H20N3.HI/c1-5-10-9-11-7-6-8-12(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

8 names
  • 1-Propanaminium, 3-[(ethylcarbonimidoyl)amino]-N,N,N-trimethyl-, iodide (1:1)
  • Ammonium, [3-[(ethylimidocarbonyl)amino]propyl]trimethyl-, iodide
  • 1-Propanaminium, 3-[(ethylcarbonimidoyl)amino]-N,N,N-trimethyl-, iodide
  • [3-[(Ethylimidocarbonyl)amino]propyl]trimethylammonium iodide
  • 1-Ethyl-3-[3-(trimethylammonio)propyl]carbodiimide iodide
  • 1-Ethyl-3-(3-dimethylaminopropyl)carbodiimide methiodide
  • N-[3-(Dimethylamino)propyl]-N′-ethylcarbodiimide methiodide
  • (3-[[(Ethylimino)methylidene]amino]propyl)trimethylazanium iodide

Work with 1-[3-(Dimethylamino)propyl]-3-ethylcarbodiimide methiodide

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

1-Ethyl-3-(3-dimethylaminopropyl)carbodiimide1892-57-546 % similar Decamethylenebis(trimethylammonium) iodide1420-40-245 % similar 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide hydrochloride25952-53-842 % similar 1-Ethyl-3-(3,3-dimethylaminopropyl)carbodiimide hydrochloride7084-11-942 % similar Trimethyl(2-hydroxyethyl)ammonium iodide17773-10-333 % similar Decamethonium bromide541-22-031 % similar Hexamethonium bromide55-97-031 % similar [3-(Methacryloylamino)propyl]trimethylammonium chloride51410-72-131 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook