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N- (2-Hydroxyethyl) ethylenediamine

CAT: 0926-FH37371-01Size: 5 KgDry Ice: NoHazardous: No
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CAT#:0926-FH37371-01Size:5 Kg
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CAS Number
111-41-1
MDL Number
MFCD00008170
Smiles
C (CNCCO) N
Molecular Formula
C4H12N2O
Molecular Weight
104.15 g/mol
Controlled
No

Chemical Information

N-(2-Hydroxyethyl)ethylenediamine

Aminoethylethanolamine appears as a clear colorless liquid with an ammonia-like odor. Corrosive to tissue. Combustible, but may be difficult to ignite. Less dense than water. Vapors heavier than air. Toxic oxides of nitrogen produced during combustion. Used to make other chemicals.

CAS Number111-41-1
PubChem CID8112
IUPAC Name2-(2-aminoethylamino)ethanol
Molecular FormulaC4H12N2O
Molecular Weight104.15
XLogP-1.7
Topological Polar Surface Area58.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count7
Formal Charge0
Complexity32
SMILES
C(CNCCO)N
InChI
InChI=1S/C4H12N2O/c5-1-2-6-3-4-7/h6-7H,1-5H2
InChIKey
LHIJANUOQQMGNT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-Hydroxyethyl)ethylenediamine
CAS: 111-41-1
CID: 8112
Formula: C4H12N2O
MW: 104.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight104.15
XLogP3-1.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass104.094963011
Monoisotopic Mass104.094963011
Topological Polar Surface Area58.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity32.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes