3-(Morpholinomethyl)benzoic Acid - CAS 67451-81-4
Catalog: |
BB033280 |
Product Name: |
3-(Morpholinomethyl)benzoic Acid |
CAS: |
67451-81-4 |
Synonyms: |
3-(4-morpholinylmethyl)benzoic acid; 3-(morpholin-4-ylmethyl)benzoic acid |
IUPAC Name: | 3-(morpholin-4-ylmethyl)benzoic acid |
Description: | 3-(Morpholinomethyl)benzoic Acid (CAS# 67451-81-4) is a useful research chemical. |
Molecular Weight: | 221.25 |
Molecular Formula: | C12H15NO3 |
Canonical SMILES: | C1COCCN1CC2=CC=CC(=C2)C(=O)O |
InChI: | InChI=1S/C12H15NO3/c14-12(15)11-3-1-2-10(8-11)9-13-4-6-16-7-5-13/h1-3,8H,4-7,9H2,(H,14,15) |
InChI Key: | LZLRLAYVCUNAEX-UHFFFAOYSA-N |
Boiling Point: | 376.9 ℃ at 760 mmHg |
Density: | 1.233 g/cm3 |
MDL: | MFCD05841588 |
LogP: | 1.15490 |
Publication Number | Title | Priority Date |
CN-113336768-A | Multi-target tyrosine kinase inhibitor | 20200218 |
WO-2021164538-A1 | Multi-target tyrosine kinase inhibitor | 20200218 |
TW-201837031-A | Protein-targeting compound, composition, method and use thereof | 20170314 |
US-10406165-B2 | Compounds targeting proteins, compositions, methods, and uses thereof | 20170314 |
US-2018264000-A1 | Compounds targeting proteins, compositions, methods, and uses thereof | 20170314 |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.10519334 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -2.2 |
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