4-[2-(Dimethylamino)ethoxy]benzaldehyde - CAS 15182-92-0
Catalog: |
BB010721 |
Product Name: |
4-[2-(Dimethylamino)ethoxy]benzaldehyde |
CAS: |
15182-92-0 |
Synonyms: |
p-[2-(Dimethylamino)ethoxy]benzaldehyde; 4-(N,N-dimethylaminoethoxy)benzaldehyde; 4-(2-dimethylamino-1-ethoxy)benzaldehyde; Benzaldehyde, 4-[2-(dimethylamino)ethoxy]- |
IUPAC Name: | 4-[2-(dimethylamino)ethoxy]benzaldehyde |
Description: | 4-[2-(Dimethylamino)ethoxy]benzaldehyde is an impurity of cyclosporin, which is a calcineurin phosphatase pathway inhibitor, used as an immunosuppressant drug to prevent rejection in organ transplantation. |
Molecular Weight: | 193.24 |
Molecular Formula: | C11H15NO2 |
Canonical SMILES: | CN(C)CCOC1=CC=C(C=C1)C=O |
InChI: | InChI=1S/C11H15NO2/c1-12(2)7-8-14-11-5-3-10(9-13)4-6-11/h3-6,9H,7-8H2,1-2H3 |
InChI Key: | CBOKAZFQZOQTOC-UHFFFAOYSA-N |
Boiling Point: | 310.0±22.0°C at 760 mmHg |
Melting Point: | 142°C |
Purity: | ≥95% |
Density: | 1.062±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in Chloroform (Sparingly), DMSO (Sparingly) |
Appearance: | Brown to Dark Brown Oily Matter |
Storage: | Store at 2-8°C |
MDL: | MFCD07368978 |
LogP: | 1.43950 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021230153-A1 | Aryl hydrocarbon receptor (ahr) agonists and uses thereof | 20191220 |
WO-2021127301-A1 | 4-phenyl-n-(phenyl)thiazol-2-amine derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders | 20191220 |
CN-108619145-B | Application of compound in treating tumor | 20180423 |
WO-2019196953-A1 | Ntcp inhibitors | 20180413 |
CN-112218878-A | NTCP inhibitors | 20180413 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.110278721 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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