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

C₈H₁₇N₃CAS 1892-57-5155.25 g/mol

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Properties

Molecular formula: C₈H₁₇N₃
Molar mass: 155.25 g/mol
Exact mass: 155.1422 Da
Boiling point: 53–54 °C (at 0.6 Torr)
logP: 1.13Crippen estimate
Polar surface area: 28.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Hazards

Danger

H302 Harmful if swallowed32.3% of notifiers
H311 Toxic in contact with skin16.1% of notifiers
H314 Causes severe skin burns and eye damage87.1% of notifiers
H315 Causes skin irritation12.9% of notifiers
H317 May cause an allergic skin reaction30.6% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled14.5% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure16.1% of notifiers
H400 Very toxic to aquatic life16.1% of notifiers
H410 Very toxic to aquatic life with long lasting effects16.1% of notifiers

Aggregated from 62 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P262, P264, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P332+P317, P333+P317, P342+P316, P361+P364, P362+P364, P363, P391, P403, P405, P501

Identifiers

CAS number

1892-57-5

SMILES

CCN=C=NCCCN(C)C

InChIKey

LMDZBCPBFSXMTL-UHFFFAOYSA-N

InChI

InChI=1S/C8H17N3/c1-4-9-8-10-6-5-7-11(2)3/h4-7H2,1-3H3

Weigh it out

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

Names and synonyms

19 names · show all

(3-Dimethylamino-propyl)-ethyl-carbodiimide
1,3-Propanediamine, N3-(ethylcarbonimidoyl)-N1,N1-dimethyl-
Carbodiimide, [3-(dimethylamino)propyl]ethyl-
1,3-Propanediamine, N′-(ethylcarbonimidoyl)-N,N-dimethyl-
N3-(Ethylcarbonimidoyl)-N1,N1-dimethyl-1,3-propanediamine
1-Ethyl-3-[3-(dimethylamino)propyl]carbodiimide
1-Ethyl-3-(dimethylaminopropyl)carbodiimide
N-Ethyl-N′-(3-dimethylaminopropyl)carbodiimide
3-(3-Dimethylaminopropyl)-1-ethylcarbodiimide
Dec
1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide
1-[3-(Dimethylamino)propyl]-3-ethylcarbodiimide
EDAC
N-(3-Dimethylaminopropyl)-N′-ethylcarbodiimide
1-Ethyl-3-(N,N-dimethylamino)propylcarbodiimide
EDC
3-Ethyl-1-(3-dimethylaminopropyl)carbodiimide
([[3-(Dimethylamino)propyl]imino]methylidene)(ethyl)amine
1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

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

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)carbodiimide hydrochloride25952-53-8Salt 1-Ethyl-3-(3,3-dimethylaminopropyl)carbodiimide hydrochloride7084-11-9Salt

Similar compounds

1-[3-(Dimethylamino)propyl]-3-ethylcarbodiimide methiodide22572-40-346 % similar N,N,N',N'-Tetramethyl-1,3-diaminopropane110-95-240 % similar N1,N1,N4,N4-Tetramethyl-1,4-butanediamine111-51-340 % similar 1-(N,N-Dimethylamino)butane927-62-839 % similar Tetramethylhexamethylenediamine111-18-238 % similar 1,3-Bis[3-(dimethylamino)propyl]urea52338-87-138 % similar Lauryldimethylamine112-18-537 % similar Dimethylhexadecylamine112-69-637 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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