5-Aminophthalide - CAS 65399-05-5
Catalog: |
BB032717 |
Product Name: |
5-Aminophthalide |
CAS: |
65399-05-5 |
Synonyms: |
5-amino-3H-isobenzofuran-1-one; 5-amino-3H-2-benzofuran-1-one |
IUPAC Name: | 5-amino-3H-2-benzofuran-1-one |
Description: | 5-Aminophthalide (CAS# 65399-05-5) is a useful research chemical. |
Molecular Weight: | 149.15 |
Molecular Formula: | C8H7NO2 |
Canonical SMILES: | C1C2=C(C=CC(=C2)N)C(=O)O1 |
InChI: | InChI=1S/C8H7NO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4,9H2 |
InChI Key: | ISMUWQMUWFPFBZ-UHFFFAOYSA-N |
Boiling Point: | 438.6 °C at 760 mmHg |
Density: | 1.376 g/cm3 |
Solubility: | 22.2 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD00778315 |
LogP: | 1.52040 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113045559-A | Diaryl urea PI3K alpha/mTOR double-target inhibitor and pharmaceutical composition and application thereof | 20210315 |
EP-3886991-A1 | Kras g12c inhibitors | 20191211 |
US-2021179633-A1 | Kras g12c inhibitors | 20191211 |
WO-2021118877-A1 | Kras g12c inhibitors | 20191211 |
CN-109134410-A | The synthetic method of fluoro- 3- methyl isobenzofuran -1 (3H) -one of 5- | 20180920 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.047678466 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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Amines and Anilines
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