Methyl 3-(1-Pyrrolidinyl)benzoate - CAS 186086-71-5
Catalog: |
BB014274 |
Product Name: |
Methyl 3-(1-Pyrrolidinyl)benzoate |
CAS: |
186086-71-5 |
Synonyms: |
3-(1-pyrrolidinyl)benzoic acid methyl ester; methyl 3-pyrrolidin-1-ylbenzoate |
IUPAC Name: | methyl 3-pyrrolidin-1-ylbenzoate |
Description: | Methyl 3-(1-Pyrrolidinyl)benzoate (CAS# 186086-71-5) is a useful research chemical. |
Molecular Weight: | 205.25 |
Molecular Formula: | C12H15NO2 |
Canonical SMILES: | COC(=O)C1=CC(=CC=C1)N2CCCC2 |
InChI: | InChI=1S/C12H15NO2/c1-15-12(14)10-5-4-6-11(9-10)13-7-2-3-8-13/h4-6,9H,2-3,7-8H2,1H3 |
InChI Key: | JJJUYMBYOGDTKP-UHFFFAOYSA-N |
LogP: | 2.13840 |
Publication Number | Title | Priority Date |
EP-2632255-B1 | Diazeniumdiolate heterocyclic derivatives | 20101029 |
PT-1732892-E | TETRA-HYDROCARBONS AND THEIR DERIVATIVES | 20040326 |
TW-200300675-A | Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade | 20011129 |
CA-2429001-A1 | Cysteine protease inhibitors | 20001117 |
DE-60118793-T2 | CYSTEIN PROTEASE INHIBITORS | 20001117 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.110278721 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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