N-(2-Hydroxyethyl)ethylenediamine - CAS 111-41-1
Catalog: |
BB002759 |
Product Name: |
N-(2-Hydroxyethyl)ethylenediamine |
CAS: |
111-41-1 |
Synonyms: |
2-(2-aminoethylamino)ethanol |
IUPAC Name: | 2-(2-aminoethylamino)ethanol |
Description: | N-(2-Hydroxyethyl)ethylenediamine (CAS# 111-41-1) is a reagent used in the synthesis of various pharmacologically active compounds and functional groups. Its used in the synthesis of antitumor anthracene-diones and antitumor DNA intercalators. More recently used in the synthesis of ionic liquids with various thermal, dielectric and catalytic properties. |
Molecular Weight: | 104.15 |
Molecular Formula: | C4H12N2O |
Canonical SMILES: | C(CNCCO)N |
InChI: | InChI=1S/C4H12N2O/c5-1-2-6-3-4-7/h6-7H,1-5H2 |
InChI Key: | LHIJANUOQQMGNT-UHFFFAOYSA-N |
Boiling Point: | 237-243 °C |
Flash Point: | 216 °F |
Purity: | 99 % |
Density: | 1.029 g/cm3 |
Solubility: | greater than or equal to 100 mg/mL at 70 °F |
Appearance: | 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. |
MDL: | MFCD00008170 |
LogP: | -0.38180 |
Vapor Pressure: | less than 0.01 mmHg at 68 °F |
GHS Hazard Statement: | H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P201, P202, P260, P261, P264, P272, P280, P281, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P313, P310, P321, P333+P313, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
26443843 | 20151201 | N-(2-Aminoethyl) Ethanolamine-Induced Morphological, Biochemical, and Biophysical Alterations in Vascular Matrix Associated With Dissecting Aortic Aneurysm | Toxicological sciences : an official journal of the Society of Toxicology |
22575537 | 20120601 | Combined effect of HEDTA and selenium against aluminum induced oxidative stress in rat brain | Journal of trace elements in medicine and biology : organ of the Society for Minerals and Trace Elements (GMS) |
22447736 | 20120401 | Developmental sensitivity to the induction of great vessel malformations by N-(2-aminoethyl)ethanolamine | Birth defects research. Part B, Developmental and reproductive toxicology |
22461421 | 20120401 | Malformations of the great vessels in the neonatal rat induced by N-(2-aminoethyl)ethanolamine | Birth defects research. Part B, Developmental and reproductive toxicology |
22461433 | 20120401 | Toxicokinetic profile of N-(2-aminoethyl)ethanolamine in the female Wistar rat and distribution into the late gestation fetus and milk | Birth defects research. Part B, Developmental and reproductive toxicology |
Complexity: | 32.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 104.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 104.094963011 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 58.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.7 |
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