4-[2-(1-Piperidyl)ethoxy]benzoic Acid Hydrochloride - CAS 84449-80-9
Catalog: |
BB037197 |
Product Name: |
4-[2-(1-Piperidyl)ethoxy]benzoic Acid Hydrochloride |
CAS: |
84449-80-9 |
Synonyms: |
4-[2-(1-piperidinyl)ethoxy]benzoic acid;hydrochloride; 4-(2-piperidin-1-ylethoxy)benzoic acid;hydrochloride |
IUPAC Name: | 4-(2-piperidin-1-ylethoxy)benzoic acid;hydrochloride |
Description: | An intermediate in the synthesis of Raloxifene hydrochloride. |
Molecular Weight: | 285.77 |
Molecular Formula: | C14H20ClNO3 |
Canonical SMILES: | C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)O.Cl |
InChI: | InChI=1S/C14H19NO3.ClH/c16-14(17)12-4-6-13(7-5-12)18-11-10-15-8-2-1-3-9-15;/h4-7H,1-3,8-11H2,(H,16,17);1H |
InChI Key: | CMVTYSMYHSVDIU-UHFFFAOYSA-N |
Boiling Point: | 413.2 ℃ at 760 mmHg |
MDL: | MFCD06657755 |
LogP: | 2.98940 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2018215466-A1 | Small molecule antagonists of SUMO related modification of CRMP2 and uses thereof | 20170203 |
CA-3052195-A1 | Small molecule antagonists of sumo related modification of crmp2 and uses thereof | 20170203 |
EP-3576734-A1 | Small molecule antagonists of sumo related modification of crmp2 and uses thereof | 20170203 |
JP-2020505434-A | Small molecule antagonists of SUMO-related modifications of crmp2 and uses thereof | 20170203 |
WO-2018144900-A1 | Small molecule antagonists of sumo related modification of crmp2 and uses thereof | 20170203 |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.1131712 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.1131712 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 49.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Piperidines
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