2-Amino-5-methoxybenzoic Acid - CAS 6705-03-9
Catalog: |
BB033173 |
Product Name: |
2-Amino-5-methoxybenzoic Acid |
CAS: |
6705-03-9 |
Synonyms: |
2-amino-5-methoxybenzoic acid; 2-amino-5-methoxybenzoic acid |
IUPAC Name: | 2-amino-5-methoxybenzoic acid |
Description: | 2-Amino-5-methoxybenzoic Acid (CAS# 6705-03-9) is used in the synthesis of quinazolinone class of histamine H3 receptor inverse agonists. It is also used in the synthesis of Alogliptin, a selective inhibitor of the serine protease dipeptidyl peptidase IV. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | COC1=CC(=C(C=C1)N)C(=O)O |
InChI: | InChI=1S/C8H9NO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H,10,11) |
InChI Key: | UMKSAURFQFUULT-UHFFFAOYSA-N |
Boiling Point: | 349.9 °C at 760 mmHg |
Density: | 1.303 g/cm3 |
MDL: | MFCD00016509 |
LogP: | 1.55680 |
GHS Hazard Statement: | H302 (88.89%): 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 |
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Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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