Methyl 4-Amino-3-(cyclopropylamino)benzoate - CAS 1426958-47-5
Catalog: |
BB009395 |
Product Name: |
Methyl 4-Amino-3-(cyclopropylamino)benzoate |
CAS: |
1426958-47-5 |
Synonyms: |
4-amino-3-(cyclopropylamino)benzoic acid methyl ester; methyl 4-amino-3-(cyclopropylamino)benzoate |
IUPAC Name: | methyl 4-amino-3-(cyclopropylamino)benzoate |
Description: | Methyl 4-Amino-3-(cyclopropylamino)benzoate (CAS# 1426958-47-5) is a useful research chemical. |
Molecular Weight: | 206.24 |
Molecular Formula: | C11H14N2O2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)N)NC2CC2 |
InChI: | InChI=1S/C11H14N2O2/c1-15-11(14)7-2-5-9(12)10(6-7)13-8-3-4-8/h2,5-6,8,13H,3-4,12H2,1H3 |
InChI Key: | GOCXYNHJJAUVFC-UHFFFAOYSA-N |
LogP: | 2.28390 |
Publication Number | Title | Priority Date |
US-2020031802-A1 | Dihydroquinoxaline bromodomain recognition protein inhibitor, preparation method and use thereof | 20170308 |
EP-3562306-A2 | Metalloenzyme inhibitor compounds | 20161229 |
TW-201831469-A | Metalase inhibitor compound, pharmaceutical composition, and method of using the same and the composition | 20161229 |
US-10538511-B2 | Metalloenzyme inhibitor compounds | 20161229 |
US-2018186773-A1 | Metalloenzyme inhibitor compounds | 20161229 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.105527694 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 64.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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