Methyl 4-amino-3-(propylamino)benzoate - CAS 675138-83-7
Catalog: |
BB059436 |
Product Name: |
Methyl 4-amino-3-(propylamino)benzoate |
CAS: |
675138-83-7 |
Synonyms: |
Methyl 4-amino-3-(propylamino)benzoate; methyl 4-amino-3-propylamino-benzoate; Methyl4-amino-3-(propylamino)benzoate; 4-amino-3-propylaminobenzoic Acid Methyl Ester |
IUPAC Name: | methyl 4-amino-3-(propylamino)benzoate |
Description: | Methyl 4-amino-3-(propylamino)benzoate |
Molecular Weight: | 208.26 |
Molecular Formula: | C11H16N2O2 |
Canonical SMILES: | CCCNC1=C(C=CC(=C1)C(=O)OC)N |
InChI: | InChI=1S/C11H16N2O2/c1-3-6-13-10-7-8(11(14)15-2)4-5-9(10)12/h4-5,7,13H,3,6,12H2,1-2H3 |
InChI Key: | AFCULDLVWJNWLE-UHFFFAOYSA-N |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.121177757 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.121177757 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 64.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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