N,N-Bis(2-hydroxyethyl)ethylenediamine

HCID 98535CAS 3197-06-6

Substructure search Find similar structures

Basic information

Standard SMILES: NCCN(CCO)CCO
InChIKey: CYOIAXUAIXVWMU-UHFFFAOYSA-N
Molecular formula: C6H16N2O2
Average molar mass: 148.2 g/mol
Monoisotopic mass: 148.12117775

Names & identifiers

Preferred name: N,N-Bis(2-hydroxyethyl)ethylenediamine
IUPAC: 2-[2-aminoethyl(2-hydroxyethyl)amino]ethanol
English name: N,N-Bis(2-hydroxyethyl)ethylenediamine
Molecular formula: C6H16N2O2
Molecular weight: 148.2

Names & synonyms

N,N-Bis(2-hydroxyethyl)ethylenediamine3197-06-6RefChem:822147626-584-22,2'-((2-Aminoethyl)azanediyl)diethanol2-[2-aminoethyl(2-hydroxyethyl)amino]ethanolMFCD000148222,2'-((2-Aminoethyl)imino)bisethanolEthanol, 2,2'-((2-aminoethyl)imino)bis-2,2'-[(2-Aminoethyl)imino]bisethanoldiethanoln-(2-aminoethyl)diethanolamine

Show more names

2,2'-((2-Aminoethyl)azanediyl)bis(ethan-1-ol)N，N-bis（2-hydroxyethyl）ethyldiamine

NSC296142-[(2-aminoethyl)(2-hydroxyethyl)amino]ethanolSCHEMBL620672,2'-((2-Aminoethyl)SCHEMBL7595180DTXSID101857962,2'-(2-Aminoethylimino)diethanolAC-128

Database identifiers

CAS: 3197-06-6
PubChem CID: 98535
DTXSID: DTXSID10185796
EC Number: 626-584-2
Nikkaji: J388.262D

Properties

Computed structural properties

XLogP: -1.3
Topological polar surface area: 69.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 10
Formal charge: 0
Complexity: 64.8

Physicochemical properties

Melting point: 92 °C · 92 °C
Boiling point: 110 °C0.02 · 110 °C0.02 mm Hg(lit.)
Density: 1.069 g/mL · 1.069 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.498(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
form: Liquid
pka: 14.38 · 14.38±0.10(Predicted)
Specific Gravity: 1.069 · 1.069
Appearance: Light yellow to yellow Liquid
Water Solubility: Soluble in water.
InChI: InChI=1S/C6H16N2O2/c7-1-2-8(3-5-9)4-6-10/h9-10H,1-7H2
InChIKey: CYOIAXUAIXVWMU-UHFFFAOYSA-N
SMILES: N(CCO)(CCO)CCN
EWG's Food Scores: 1 · 1
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes: C
Risk Statements: 34 · 34-37
Safety Statements: 26 · 26-27-36/37/39-45
RIDADR: 2735 · UN 2735 8/PG 3
WGK Germany: 3 · 3
HazardClass: 8 · 8
PackingGroup: III

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

wgk: 3
ridadr: UN 2735 8/PG 3
risk_code: 34-37
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: III
Hazard statements: H314-H318
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a