N,N'-Diethylethylenediamine
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Basic information
- CAS
111-74-0- Standard SMILES
CCNCCNCC- InChIKey
CJKRXEBLWJVYJD-UHFFFAOYSA-N- Molecular formula
- C6H16N2
- Average molar mass
- 116.2 g/mol
- Monoisotopic mass
- 116.13134851
Overview
N,N'-diethylethylenediamine is a diazaalkane consisting of octane having the two aza groups at the 3- and 6-positions.
Names & identifiers
- Preferred name
- N,N'-Diethylethylenediamine
- IUPAC
- N,N'-diethylethane-1,2-diamine
- English name
- N,N'-Diethylethylenediamine
- Molecular formula
- C6H16N2
- Molecular weight
- 116.2
Names & synonyms
N,N'-Diethylethylenediamine111-74-0N,N'-diethylethane-1,2-diamine1,2-Bis(ethylamino)ethane3,6-diazaoctane1,2-Ethanediamine, N1,N2-diethyl-EINECS 203-902-4n,n'-diethyl-1,2-ethanediamineAI3-26637N,N'-Diethyl-1,2-diaminoethaneDTXSID0059409CHEBI:182290
Show more names
N1,N2-diethylethane-1,2-diaMineDEENN,N'-diethyldiamineN,N'-DiethylethyleneN,N'-Ethylenediethyldiamine
RefChem:821901DTXCID0033205203-902-41,2-Ethanediamine, N,N'-diethyl-ethyl[2-(ethylamino)ethyl]amineMFCD00009033SCHEMBL80292Ethylenediamine, N,N'-diethyl-
Database identifiers
- CAS
111-74-0- PubChem CID
- 67105
- DTXSID
DTXSID0059409- ChEMBL
CHEMBL54723- ChEBI
CHEBI:182290- UNII
- M65DE5KU8F
- EC Number
- 203-902-4
- Nikkaji
- J150.839C
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 31.5
Physicochemical properties
- Melting point
- -7.15 °C · -7.15°C (estimate)
- Boiling point
- 152 · 152-154 °C(lit.)
- Density
- 0.811 g/mL · 0.811 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4326(lit.)
- Flash point
- 92 °F · 92 °F
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 11.17 · 11.17±0.19(Predicted)
- form
- clear liquid
- color
- Colorless to Almost colorless
- Water Solubility
- Miscible with water.
- Stability
- Stable. Flammable. Incompatible with acids, acid chlorides, acid anhydrides, strong oxidizing agents. Absorbs, and reacts with, carbon dioxide in the air.
- InChI
- InChI=1S/C6H16N2/c1-3-7-5-6-8-4-2/h7-8H,3-6H2,1-2H3
- InChIKey
- CJKRXEBLWJVYJD-UHFFFAOYSA-N
- SMILES
- C(NCC)CNCC
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2685 8/PG 2
- hs_code
- 29212900
- risk_code
- 10-34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- C
- safety_code
- 16-26-27-36/37/39-45
- hazard_class
- 8
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H226-H314
- Hazard Classifications
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Ethanediamine, N1,N2-diethyl-: ACTIVE
Applications
UsesN,N'-Diethylethylenediamine is used as an internal standard in liquid chromatographic method used for checking the assay of ethambutol. It is utilized for the solvation of lithium hexamethyldisilazide. It acts as a ligand and form coordination complexes such as trans-diaquabis(N,N'-diethylethylenediamine)nickel(II) chloride and copper(II)-N,N-Diethylethylenediamine, which shows thermochromic properties. Further, it is used as a pharmaceutical intermediate used in the synthesis of procainamide hydrochloride, tiapride and cinchocaine.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: N,N'-diethylethylenediamine is a diazaalkane consisting of octane having the two aza groups at the 3- and 6-positions.
Related reactions
22 records
Compound notes
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