N-Aminophthalimide - CAS 1875-48-5
Catalog: |
BB014428 |
Product Name: |
N-Aminophthalimide |
CAS: |
1875-48-5 |
Synonyms: |
2-aminoisoindole-1,3-dione |
IUPAC Name: | 2-aminoisoindole-1,3-dione |
Description: | N-Aminophthalimide (CAS# 1875-48-5) is a useful intermediate used in the preparation of benzoazoles, benzoazines, benzothiazoles, benzothiazines and other related compounds possessing a 2,4-dihydroxyphenyl moiety with antifungal and antitumor activity. |
Molecular Weight: | 162.15 |
Molecular Formula: | C8H6N2O2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=O)N(C2=O)N |
InChI: | InChI=1S/C8H6N2O2/c9-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,9H2 |
InChI Key: | KSILMCDYDAKOJD-UHFFFAOYSA-N |
Boiling Point: | 348.6 ℃ at 760 mmHg |
Purity: | 98.0% |
Density: | 1.472 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00005895 |
LogP: | 0.79450 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P280, P285, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22865565 | 20120806 | Hypoiodite-mediated metal-free catalytic aziridination of alkenes | Angewandte Chemie (International ed. in English) |
22199689 | 20111201 | 2-[(E)-(2-Hy-droxy-naphthalen-1-yl)methyl-idene-amino]-isoindoline-1,3-dione | Acta crystallographica. Section E, Structure reports online |
22199705 | 20111201 | (E)-2-[(2-Chloro-benzyl-idene)amino]-isoindoline-1,3-dione | Acta crystallographica. Section E, Structure reports online |
22026754 | 20111118 | Diastereoselective aziridination of 2-B(pin)-substituted allylic alcohols: an efficient approach to novel organoboron compounds | Organic letters |
21837105 | 20110701 | 2-[(E)-(2,4-Dichloro-benzyl-idene)amino]-isoindoline-1,3-dione | Acta crystallographica. Section E, Structure reports online |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.042927438 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 63.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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