4-[1-(1-Pyrrolidyl)ethyl]phenylboronic Acid - CAS 868395-81-7
Catalog: |
BB038081 |
Product Name: |
4-[1-(1-Pyrrolidyl)ethyl]phenylboronic Acid |
CAS: |
868395-81-7 |
Synonyms: |
[4-[1-(1-pyrrolidinyl)ethyl]phenyl]boronic acid; [4-(1-pyrrolidin-1-ylethyl)phenyl]boronic acid |
IUPAC Name: | [4-(1-pyrrolidin-1-ylethyl)phenyl]boronic acid |
Description: | 4-[1-(1-Pyrrolidyl)ethyl]phenylboronic Acid (CAS# 868395-81-7) is a useful research chemical. |
Molecular Weight: | 219.09 |
Molecular Formula: | C12H18NO2B |
Canonical SMILES: | B(C1=CC=C(C=C1)C(C)N2CCCC2)(O)O |
InChI: | InChI=1S/C12H18BNO2/c1-10(14-8-2-3-9-14)11-4-6-12(7-5-11)13(15)16/h4-7,10,15-16H,2-3,8-9H2,1H3 |
InChI Key: | NQLHGKJEUGXKQH-UHFFFAOYSA-N |
Boiling Point: | 354.5 °C at 760 mmHg |
Density: | 1.13 g/cm3 |
LogP: | 0.46110 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2018534276-A | Compounds for cancer treatment and epigenetics | 20151009 |
US-2019071416-A1 | Compounds for treatment of cancer and epigenetics | 20151009 |
EP-3265453-A1 | New pyridinones and isoquinolinones as inhibitors of the bromodomain brd9 | 20150305 |
JP-2018507238-A | Novel pyridinones and isoquinolinones as inhibitors of bromodomain BRD9 | 20150305 |
US-2018044335-A1 | New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 | 20150305 |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.1430590 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.1430590 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.7 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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