N-(4-Pentynyl)phthalimide - CAS 6097-07-0
Catalog: |
BB030876 |
Product Name: |
N-(4-Pentynyl)phthalimide |
CAS: |
6097-07-0 |
Synonyms: |
2-pent-4-ynylisoindole-1,3-dione |
IUPAC Name: | 2-pent-4-ynylisoindole-1,3-dione |
Description: | N-(4-Pentynyl)phthalimide (CAS# 6097-07-0) is a useful research chemical. |
Molecular Weight: | 213.23 |
Molecular Formula: | C13H11NO2 |
Canonical SMILES: | C#CCCCN1C(=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/h1,4-5,7-8H,3,6,9H2 |
InChI Key: | YNZIPXLLPFYDGM-UHFFFAOYSA-N |
Boiling Point: | 339.702 ℃ at 760 mmHg |
Density: | 1.229 g/cm3 |
MDL: | MFCD06798110 |
LogP: | 1.63390 |
GHS Hazard Statement: | H317 (97.67%): 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 |
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Complexity: | 328 |
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: | 3 |
Topological Polar Surface Area: | 37.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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