3-Morpholinobenzaldehyde - CAS 446866-87-1
Catalog: |
BB025696 |
Product Name: |
3-Morpholinobenzaldehyde |
CAS: |
446866-87-1 |
Synonyms: |
3-(4-morpholinyl)benzaldehyde; 3-morpholin-4-ylbenzaldehyde |
IUPAC Name: | 3-morpholin-4-ylbenzaldehyde |
Description: | 3-Morpholinobenzaldehyde (CAS# 446866-87-1) is a useful research chemical. |
Molecular Weight: | 191.23 |
Molecular Formula: | C11H13NO2 |
Canonical SMILES: | C1COCCN1C2=CC=CC(=C2)C=O |
InChI: | InChI=1S/C11H13NO2/c13-9-10-2-1-3-11(8-10)12-4-6-14-7-5-12/h1-3,8-9H,4-7H2 |
InChI Key: | LQORKFSMUOSSQM-UHFFFAOYSA-N |
Boiling Point: | 357.9 °C at 760 mmHg |
Density: | 1.163 g/cm3 |
Appearance: | Light yellow solid |
LogP: | 1.40070 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019238046-A1 | Camptothecin derivative, preparation method therefor and application thereof | 20180612 |
EP-3808751-A1 | Camptothecin derivative, preparation method therefor and application thereof | 20180612 |
WO-2019191189-A1 | Compounds as modulators of tlr2 signaling | 20180327 |
AU-2019242734-A1 | Compounds as modulators of TLR2 signaling | 20180327 |
CA-3093553-A1 | Compounds as modulators of tlr2 signaling | 20180327 |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.094628657 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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