2-(1-Pyrrolidinyl)benzoic Acid - CAS 78648-27-8
Catalog: |
BB036215 |
Product Name: |
2-(1-Pyrrolidinyl)benzoic Acid |
CAS: |
78648-27-8 |
Synonyms: |
2-(1-pyrrolidinyl)benzoic acid; 2-pyrrolidin-1-ylbenzoic acid |
IUPAC Name: | 2-pyrrolidin-1-ylbenzoic acid |
Description: | 2-(1-Pyrrolidinyl)benzoic Acid (CAS# 78648-27-8) is a useful research chemical. |
Molecular Weight: | 191.23 |
Molecular Formula: | C11H13NO2 |
Canonical SMILES: | C1CCN(C1)C2=CC=CC=C2C(=O)O |
InChI: | InChI=1S/C11H13NO2/c13-11(14)9-5-1-2-6-10(9)12-7-3-4-8-12/h1-2,5-6H,3-4,7-8H2,(H,13,14) |
InChI Key: | SSALRORMOVCZTK-UHFFFAOYSA-N |
Boiling Point: | 351.876 °C at 760 mmHg |
Density: | 1.222 g/cm3 |
MDL: | MFCD09035985 |
LogP: | 2.05000 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111620839-A | Preparation method for synthesizing phenyl pyrrolidine derivative in series under metal catalysis | 20200630 |
WO-2020168017-A1 | Compositions containing, methods and uses of antibody-tlr agonist conjugates | 20190212 |
CN-108690034-A | A kind of fluorination benzo naphthyridones derivative, Preparation method and use | 20180112 |
CA-3062388-A1 | Dual modulators of farnesoid x receptor and soluble epoxide hydrolase | 20170524 |
KR-102168543-B1 | Isoxazole derivatives as nuclear receptor agonist and uses thereof | 20170412 |
PMID | Publication Date | Title | Journal |
22677529 | 20120715 | Pyrrolidinobenzoic acid inhibitors of influenza virus neuraminidase: the hydrophobic side chain influences type A subtype selectivity | Bioorganic & medicinal chemistry |
12788348 | 20030703 | Pyrrolidinobenzoic acid inhibitors of influenza virus neuraminidase: modifications of essential pyrrolidinone ring substituents | Bioorganic & medicinal chemistry |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.094628657 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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