N,N'-Diethylethylenediamine (HCID 67105)

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 properties

XLogP: 0.2
Topological polar surface area: 24.1 Å²
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
LogP: 0.21 · 0.210
CAS DataBase Reference: 111 · 111-74-0(CAS DataBase Reference)
NIST Chemistry Reference: 1 · 1,2-Ethanediamine, N,N'-diethyl-(111-74-0)
EPA Substance Registry System: 1 · 1,2-Ethanediamine, N,N'-diethyl- (111-74-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 226 · H226-H314
Precautionary statements: 210 · P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 10 · 10-34
Safety Statements: 16 · 16-26-27-36/37/39-45
RIDADR: 2685 · UN 2685 8/PG 2
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29212900 · 29212900
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 Skin · Flam. Liq. 3Skin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 4 items

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: Flam. Liq. 3Skin Corr. 1B
Precautionary statements: P210-P233-P240-P280-P303+P361+P353-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,2-Ethanediamine, N1,N2-diethyl-: ACTIVE

Applications · 1 item

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.