1-(5-Bromo-2-hydroxyphenyl)-3-(diethylamino)-2-propen-1-one - CAS 213690-00-7
Catalog: |
BB016789 |
Product Name: |
1-(5-Bromo-2-hydroxyphenyl)-3-(diethylamino)-2-propen-1-one |
CAS: |
213690-00-7 |
Synonyms: |
(E)-1-(5-bromo-2-hydroxyphenyl)-3-(diethylamino)prop-2-en-1-one |
IUPAC Name: | (E)-1-(5-bromo-2-hydroxyphenyl)-3-(diethylamino)prop-2-en-1-one |
Description: | 1-(5-Bromo-2-hydroxyphenyl)-3-(diethylamino)-2-propen-1-one (CAS# 213690-00-7 ) is a useful research chemical. |
Molecular Weight: | 298.18 |
Molecular Formula: | C13H16BrNO2 |
Canonical SMILES: | CCN(CC)C=CC(=O)C1=C(C=CC(=C1)Br)O |
InChI: | InChI=1S/C13H16BrNO2/c1-3-15(4-2)8-7-13(17)11-9-10(14)5-6-12(11)16/h5-9,16H,3-4H2,1-2H3/b8-7+ |
InChI Key: | WGCAWTUPPWTJJF-BQYQJAHWSA-N |
Boiling Point: | 389.4 ℃ at 760 mmHg |
Density: | 1.361 g/cm3 |
MDL: | MFCD03424558 |
LogP: | 3.19290 |
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 |
EP-1948614-A2 | Glucokinase activators | 20051118 |
JP-2009515997-A | Glucokinase activator | 20051118 |
US-2007197532-A1 | Glucokinase activators | 20051118 |
US-2011070297-A1 | Glucokinase activators | 20051118 |
WO-2007061923-A2 | Glucokinase activators | 20051118 |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 297.03644 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.03644 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS