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7084-11-9

7084-11-9 Structure

7084-11-9 Structure
IdentificationMore
[Name]

N-(3-DIMETHYLAMINOPROPYL)-N'-ETHYLCARBODIIMIDE HYDROCHLORIDE
[CAS]

7084-11-9
[Synonyms]

1-(3-DIMETHYLAMINOPROPYL)-3-ETHYLCARBODIIMIDE HCL
1-(3-DIMETHYLAMINOPROPYL)-3-ETHYLCARBODIIMIDE HYDRCHLORIDE
1-(3-DIMETHYLAMINOPROPYL)-3-ETHYLCARBODIIMIDE HYDROCHLORIDE
1-ETHYL-3-(3-DIMETHYLAMINOPROPYL) CARBODIIMIDE HCL
1-ETHYL-3-(3'-DIMETHYLAMINOPROPYL)CARBODIIMIDE, HCL
1-ETHYL-3-(3-DIMETHYLAMINOPROPYL)CARBODIIMIDE HYDROCHLORIDE
1-ETHYL-3-(3-DIMETHYLAMINOPROPYL)CARBODIIMIDE MONOHYDROCHLORIDE
1-ETHYL-(3-DIMETHYLAMINOPROPYL)CARBODIIMIDE HYDROCHLORIDE
1-ETYHL-3(3-DIMETHYLAMINOPROPYL)CARBODIIMIDE HYDROCHLORIDE
3-(3-DIMETHYLAMINOPROPYL)-1-ETHYLCARBODIIMIDE HYDROCHLORIDE
EDAC
EDAC HCL
EDAC, HYDROCHLORIDE
EDC
EDC HCL
EDC HYDROCHLORIDE
EDCI
EDCI HCL
EDCL
EPCI
[EINECS(EC#)]

247-361-2
[Molecular Formula]

C8H18ClN3
[MDL Number]

MFCD00012503
[Molecular Weight]

191.7
[MOL File]

7084-11-9.mol
Chemical PropertiesBack Directory
[Melting point ]

110-115 °C(lit.)
[storage temp. ]

−20°C
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C8H17N3.CH4/c1-4-9-8-10-6-5-7-11(2)3;/h4-7H2,1-3H3;1H4
[InChIKey]

HSEOIWQSGRUAHQ-UHFFFAOYSA-N
[SMILES]

N(CCCN(C)C)=C=NCC.C
[CAS DataBase Reference]

7084-11-9(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

3
[RTECS ]

FF2200000
[F ]

3-10-21
Hazard InformationBack Directory
[Description]

Among the carbodiimides available, n-(3-dimethylaminopropyl)-n'-ethylcarbodiimide (EDC) hydrochlorideis commonly used because it is available as an HCl salt, is easy to handle, and the urea by-product, N-(3-dimethylaminopropyl)-N' -ethylurea (EDU), is soluble in water and can easily be removed[1].
[Uses]

N-(3-Dimethylaminopropyl)-N'-ethylcarbodiimide (EDC) is a carbodiimide coupling reagent commonly used for the preparation of amides from carboxylic acids and amines[1].
[Toxicology]

N-(3-dimethylaminopropyl)-N'-ethylcarbodiimide hydrochloride (EDC) was considered to be potentially genotoxic; however, later studies determined that EDC is not genotoxic. 4 in vitro Ames bacterial mutagenicity tests indicated EDC is genotoxic, but the reagent is not genotoxic in vivo when administered to rats orally. When administered orally, EDC is hydrolyzed to EDU, which is not genotoxic[1].
[Synthesis]

Weighed 12ml of carbon disulfide dissolved in 100ml of methanol, slowly added N,N'-dimethylpropylenediamine 20.4g dropwise, control the temperature at 10-15 ° C, dropwise process of white solid generation, dropwise completion of the 10-15 ° C heat pres

[References]

[1] Kai Cao, Samuel J. Bonacorsi Jr, John A. Brailsford. “Synthesis of stable-isotope-labeled N-(3-dimethylaminopropyl)-N′-ethylcarbodiimide and N-(3-dimethylaminopropyl)-N′-ethylurea.” Journal of labelled compounds & radiopharmaceuticals 63 13 (2020): 526–530.
Spectrum DetailBack Directory
[Spectrum Detail]

n-(3-dimethylaminopropyl)-n'-ethylcarbodiimide hydrochloride(7084-11-9)1HNMR
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