4-[2-(Dimethylamino)ethoxy]benzylamine - CAS 20059-73-8
Catalog: |
BB015484 |
Product Name: |
4-[2-(Dimethylamino)ethoxy]benzylamine |
CAS: |
20059-73-8 |
Synonyms: |
2-[4-(aminomethyl)phenoxy]-N,N-dimethylethanamine; 2-[4-(aminomethyl)phenoxy]-N,N-dimethylethanamine |
IUPAC Name: | 2-[4-(aminomethyl)phenoxy]-N,N-dimethylethanamine |
Description: | 4-[2-(Dimethylamino)ethoxy]benzylamine (CAS# 20059-73-8) is an impurity of Itopride (HCl: I931500), a gastroprokinetic benzamide derivative that is used to treat patients with dyspepsia. |
Molecular Weight: | 194.27 |
Molecular Formula: | C11H18N2O |
Canonical SMILES: | CN(C)CCOC1=CC=C(C=C1)CN |
InChI: | InChI=1S/C11H18N2O/c1-13(2)7-8-14-11-5-3-10(9-12)4-6-11/h3-6H,7-9,12H2,1-2H3 |
InChI Key: | OBHPRQNPNGQGCK-UHFFFAOYSA-N |
Boiling Point: | 305 °C at 760 mmHg |
Density: | 1.021 g/cm3 |
Appearance: | Colorless to light yellow liquid |
MDL: | MFCD01075231 |
LogP: | 1.78600 |
GHS Hazard Statement: | H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P273, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021163631-A1 | Calpain-2 inhibitor compounds and methods of treatment | 20200212 |
CN-113009003-A | Method for detecting related substances in itopride hydrochloride preparation | 20191222 |
CN-110794046-A | Method for detecting 2,4, 5-trifluoro-3-methoxybenzoyl chloride in moxifloxacin intermediate | 20190930 |
WO-2021032934-A1 | Enzyme inhibitors | 20190821 |
CN-108610266-A | A kind of preparation method of Itopride Hydrochloride | 20180525 |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.141913202 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.141913202 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 38.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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