chempirical

1-Ethyl-3-(3,3-dimethylaminopropyl)carbodiimide hydrochloride

C8H18ClN3CAS 7084-11-9191.70 g/mol

Open in Covalent MOL file
NNNHCl
Tertiary amine

Properties

Molecular formula
C8H18ClN3
Molar mass
191.70 g/mol
Exact mass
191.1189 Da
logP
1.55Crippen estimate
Polar surface area
28.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Identifiers

CAS number
7084-11-9
SMILES
CCN=C=NCCCN(C)C.Cl
InChIKey
FPQQSJJWHUJYPU-UHFFFAOYSA-N
InChI
InChI=1S/C8H17N3.ClH/c1-4-9-8-10-6-5-7-11(2)3;/h4-7H2,1-3H3;1H

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Names and synonyms

3 names
  • 1,3-Propanediamine, N3-(ethylcarbonimidoyl)-N1,N1-dimethyl-, hydrochloride (1:?)
  • Carbodiimide, [3-(dimethylamino)propyl]ethyl-, hydrochloride
  • 1,3-Propanediamine, N′-(ethylcarbonimidoyl)-N,N-dimethyl-, hydrochloride

Reactions

Work with 1-Ethyl-3-(3,3-dimethylaminopropyl)carbodiimide hydrochloride

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)carbodiimide1892-57-589 % similar 1-[3-(Dimethylamino)propyl]-3-ethylcarbodiimide methiodide22572-40-342 % similar 3-Dimethylaminopropyl chloride hydrochloride1281-00-139 % similar 3-(Dimethylamino)propyl chloride hydrochloride5407-04-539 % similar Propamocarb hydrochloride25606-41-139 % similar Tetramethyl-1,3-propanediamine110-95-236 % similar N1,N1,N4,N4-Tetramethyl-1,4-butanediamine111-51-336 % similar 1-(N,N-Dimethylamino)butane927-62-835 % similar

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

Same formula

1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide hydrochloride25952-53-8

Elsewhere

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