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

C₈H₁₈ClN₃CAS 7084-11-9191.70 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Hazards

Danger

H302 Harmful if swallowed73.7% of notifiers
H311 Toxic in contact with skin56.5% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction60.6% of notifiers
H318 Causes serious eye damage10.2% of notifiers
H319 Causes serious eye irritation75.2% of notifiers
H335 May cause respiratory irritation43.2% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure55.9% of notifiers
H400 Very toxic to aquatic life56.2% of notifiers
H410 Very toxic to aquatic life with long lasting effects56.5% of notifiers

Aggregated from 315 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501

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

Weigh it out

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

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

1-ETHYL-3-(3-DIMETHYLAMINO)PROPYLCARBODIIMIDE HYDROCHLORIDE AND METHIODIDE (Carbodiimide, [3-(dimethylamino)propyl]ethyl-, hydrochloride and Ammonium iodide, [3-[[(ethylimino)methylene]amino]propyl]trimethyl-)product

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

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.

1-Ethyl-3-(3-dimethylaminopropyl)carbodiimide1892-57-5Free base 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide hydrochloride25952-53-8

Similar compounds

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 N,N,N',N'-Tetramethyl-1,3-diaminopropane110-95-236 % similar N1,N1,N4,N4-Tetramethyl-1,4-butanediamine111-51-336 % similar 1-(N,N-Dimethylamino)butane927-62-835 % similar 1,3-Bis[3-(dimethylamino)propyl]urea52338-87-135 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook