N-(2-Pentynyl)phthalimide - CAS 339310-24-6
Catalog: |
BB021900 |
Product Name: |
N-(2-Pentynyl)phthalimide |
CAS: |
339310-24-6 |
Synonyms: |
2-pent-2-ynylisoindole-1,3-dione |
IUPAC Name: | 2-pent-2-ynylisoindole-1,3-dione |
Description: | N-(2-Pentynyl)phthalimide (CAS# 339310-24-6 ) is a useful research chemical. |
Molecular Weight: | 213.23 |
Molecular Formula: | C13H11NO2 |
Canonical SMILES: | CCC#CCN1C(=O)C2=CC=CC=C2C1=O |
InChI: | InChI=1S/C13H11NO2/c1-2-3-6-9-14-12(15)10-7-4-5-8-11(10)13(14)16/h4-5,7-8H,2,9H2,1H3 |
InChI Key: | YGFAGDNPORPFTC-UHFFFAOYSA-N |
Boiling Point: | 339.3 ℃ at 760 mmHg |
Density: | 1.166 g/cm3 |
MDL: | MFCD08059360 |
LogP: | 1.63390 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021067606-A1 | Brm targeting compounds and associated methods of use | 20191001 |
US-2007060563-A1 | Quinuclidine derivatives binding to mucarinic m3 receptors | 20030502 |
US-2010041887-A1 | Quinuclidine derivatives binding to mucarinic m3 receptors | 20030502 |
US-8168654-B2 | Quinuclidine derivatives binding to mucarinic M3 receptors | 20030502 |
Complexity: | 350 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.078978594 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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