3-Methoxy-5-methylaniline - CAS 66584-31-4
Catalog: |
BB033065 |
Product Name: |
3-Methoxy-5-methylaniline |
CAS: |
66584-31-4 |
Synonyms: |
3-methoxy-5-methylaniline; 3-methoxy-5-methylaniline |
IUPAC Name: | 3-methoxy-5-methylaniline |
Description: | 3-Methoxy-5-methylaniline (CAS# 66584-31-4) is a aniline derivative used in the preparation of sulphonamides and aryl amines as antitubercular agents. |
Molecular Weight: | 137.18 |
Molecular Formula: | C8H11NO |
Canonical SMILES: | CC1=CC(=CC(=C1)OC)N |
InChI: | InChI=1S/C8H11NO/c1-6-3-7(9)5-8(4-6)10-2/h3-5H,9H2,1-2H3 |
InChI Key: | SIYIMMXOEYEZHK-UHFFFAOYSA-N |
Boiling Point: | 257.7 °C at 760 mmHg |
Density: | 1.039 g/cm3 |
MDL: | MFCD11036303 |
LogP: | 2.16700 |
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Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 137.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.084063974 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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