5-Ethynyl-2-methoxyaniline - CAS 105752-19-0
Catalog: |
BB001705 |
Product Name: |
5-Ethynyl-2-methoxyaniline |
CAS: |
105752-19-0 |
Synonyms: |
5-ethynyl-2-methoxyaniline; 5-ethynyl-2-methoxyaniline |
IUPAC Name: | 5-ethynyl-2-methoxyaniline |
Description: | 5-Ethynyl-2-methoxyaniline (CAS# 105752-19-0 ) is a useful research chemical. |
Molecular Weight: | 147.17 |
Molecular Formula: | C9H9NO |
Canonical SMILES: | COC1=C(C=C(C=C1)C#C)N |
InChI: | InChI=1S/C9H9NO/c1-3-7-4-5-9(11-2)8(10)6-7/h1,4-6H,10H2,2H3 |
InChI Key: | AUEJRNKJSSALCN-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 1.83990 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20140092696-A | Novel phenylethynyl benzamide glucokinase activators and processes for the preparation thereof | 20130116 |
WO-2014112798-A1 | Novel phenylethynyl benzamide glucokinase activator and method for preparing same | 20130116 |
AU-2007332143-A1 | Chemical compounds and processes | 20061211 |
AU-2007332143-B2 | Chemical compounds and processes | 20061211 |
US-2010048591-A1 | Chemical compounds and processes | 20061211 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.068413911 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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Amines and Anilines
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