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

C₉H₂₀IN₃CAS 22572-40-3297.18 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin86.7% of notifiers
H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H332 Harmful if inhaled86.7% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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Names and synonyms

9 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
1-(3-(Dimethylamino)propyl)-3-ethylcarbodiimide methiodide

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 Choline 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

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