4-(Morpholinomethyl)aniline - CAS 51013-67-3
Catalog: |
BB027295 |
Product Name: |
4-(Morpholinomethyl)aniline |
CAS: |
51013-67-3 |
Synonyms: |
4-(4-morpholinylmethyl)aniline; 4-(morpholin-4-ylmethyl)aniline |
IUPAC Name: | 4-(morpholin-4-ylmethyl)aniline |
Description: | An aniline derivative used in the preparation of tyrosine kinase inhibitors. |
Molecular Weight: | 192.26 |
Molecular Formula: | C11H16N2O |
Canonical SMILES: | C1COCCN1CC2=CC=C(C=C2)N |
InChI: | InChI=1S/C11H16N2O/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h1-4H,5-9,12H2 |
InChI Key: | WNYFVEFUHMDIRQ-UHFFFAOYSA-N |
Boiling Point: | 320.7 °C at 760 mmHg |
Density: | 1.136 g/cm3 |
Solubility: | >28.8 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD03659020 |
LogP: | 1.62010 |
Publication Number | Title | Priority Date |
CN-113061117-A | 2- ((5-chloro-2- (4-morpholine methylanilino) pyrimidine-4-yl) amino) benzamide derivative | 20210330 |
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PMID | Publication Date | Title | Journal |
22547662 | 20120701 | Antistaphylococcal activity of DNA-interactive pyrrolobenzodiazepine (PBD) dimers and PBD-biaryl conjugates | The Journal of antimicrobial chemotherapy |
18454143 | 20080601 | Gene expression signatures and small-molecule compounds link a protein kinase to Plasmodium falciparum motility | Nature chemical biology |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.126263138 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.126263138 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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Amines and Anilines
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