N-(3-Butynyl)phthalimide - CAS 14396-90-8
Catalog: |
BB009699 |
Product Name: |
N-(3-Butynyl)phthalimide |
CAS: |
14396-90-8 |
Synonyms: |
2-but-3-ynylisoindole-1,3-dione |
IUPAC Name: | 2-but-3-ynylisoindole-1,3-dione |
Description: | N-(3-Butynyl)phthalimide (CAS# 14396-90-8) is a useful research chemical. |
Molecular Weight: | 199.21 |
Molecular Formula: | C12H9NO2 |
Canonical SMILES: | C#CCCN1C(=O)C2=CC=CC=C2C1=O |
InChI: | InChI=1S/C12H9NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h1,4-7H,3,8H2 |
InChI Key: | YIMNQWSIQLKYOZ-UHFFFAOYSA-N |
Boiling Point: | 328 °C at 760 mmHg |
Density: | 1.269 g/cm3 |
Appearance: | Solid |
MDL: | MFCD03695464 |
LogP: | 1.24380 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020058913-A1 | Isoxazole carboxamide compounds and uses thereof | 20180921 |
CN-113056455-A | Isoxazole carboxamide compounds and uses thereof | 20180921 |
KR-20210066848-A | Isoxazole carboxamide compounds and uses thereof | 20180921 |
EP-3599243-A1 | 17beta-heterocyclyl-digitalis like compounds for the treatment of heart failure | 20180726 |
WO-2020020728-A1 | 17beta-heterocyclyl-digitalis like compounds for the treatment of heart failure | 20180726 |
Complexity: | 315 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.063328530 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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