2-morpholinobenzoic acid - CAS 42106-48-9
Catalog: |
BB025047 |
Product Name: |
2-morpholinobenzoic acid |
CAS: |
42106-48-9 |
Synonyms: |
2-(4-morpholinyl)benzoic acid; 2-morpholin-4-ylbenzoic acid |
IUPAC Name: | 2-morpholin-4-ylbenzoic acid |
Description: | 2-morpholinobenzoic acid (CAS# 42106-48-9) is used in the preparation of amino acids as inhibitors of αvβ integrin and for treating fibrosis. |
Molecular Weight: | 207.23 |
Molecular Formula: | C11H13NO3 |
Canonical SMILES: | C1COCCN1C2=CC=CC=C2C(=O)O |
InChI: | InChI=1S/C11H13NO3/c13-11(14)9-3-1-2-4-10(9)12-5-7-15-8-6-12/h1-4H,5-8H2,(H,13,14) |
InChI Key: | XUBUJTVBAXQIKG-UHFFFAOYSA-N |
Boiling Point: | 387.5 ℃ at 760 mmHg |
Density: | 1.253 g/cm3 |
MDL: | MFCD00527976 |
LogP: | 1.28640 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, 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 |
CN-113200908-A | Tertiary amine-containing anthranilamide compound and preparation and application thereof | 20210409 |
CN-111943912-A | Preparation method of 2-aminocinnamoyl alcohol ester derivative | 20200813 |
CN-112159368-A | Synthesis method of linezolid intermediate | 20200707 |
CN-109678815-A | N- benzyl benzamide derivatives and preparation method thereof and pharmaceutical applications | 20190109 |
US-2020109141-A1 | Amino acid compounds and methods of use | 20181008 |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.08954328 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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