4-[2-(Dimethylamino)ethoxy]benzonitrile - CAS 24197-95-3
Catalog: |
BB018366 |
Product Name: |
4-[2-(Dimethylamino)ethoxy]benzonitrile |
CAS: |
24197-95-3 |
Synonyms: |
4-[2-(dimethylamino)ethoxy]benzonitrile; 4-[2-(dimethylamino)ethoxy]benzonitrile |
IUPAC Name: | 4-[2-(dimethylamino)ethoxy]benzonitrile |
Description: | 4-[2-(Dimethylamino)ethoxy]benzonitrile (CAS# 24197-95-3) is an impurity of Itopride (I931500) which is a dopamine D2-receptor antagonist with anticholinesterase activity. Gastroprokinetic. |
Molecular Weight: | 190.24 |
Molecular Formula: | C11H14N2O |
Canonical SMILES: | CN(C)CCOC1=CC=C(C=C1)C#N |
InChI: | InChI=1S/C11H14N2O/c1-13(2)7-8-14-11-5-3-10(9-12)4-6-11/h3-6H,7-8H2,1-2H3 |
InChI Key: | DTYDLVIYHGGCOG-UHFFFAOYSA-N |
Boiling Point: | 115-117 °C / 0.1 mmHg |
Density: | 1.06 g/cm3 |
LogP: | 1.49868 |
GHS Hazard Statement: | H302 (100%): 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 |
EP-3044221-B1 | 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use | 20130911 |
US-2016221953-A1 | 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use | 20130911 |
US-9611223-B2 | 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use | 20130911 |
US-2009177008-A1 | Novel process for synthesis of itopride and its novel intermediate n-(4-hydroxybenzyl)- 3,4-dimethoxybenzamide | 20051228 |
WO-2007074386-A2 | A novel process for synthesis of itopride and it’s novel intermediate-n-(4-hydroxybenzyl)-3,4-dimethoxybenzamide | 20051228 |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.110613074 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.110613074 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 36.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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