6-Aminoisoindolin-1-one - CAS 675109-45-2
Catalog: |
BB033299 |
Product Name: |
6-Aminoisoindolin-1-one |
CAS: |
675109-45-2 |
Synonyms: |
6-amino-2,3-dihydroisoindol-1-one; 6-amino-2,3-dihydroisoindol-1-one |
IUPAC Name: | 6-amino-2,3-dihydroisoindol-1-one |
Description: | 6-Aminoisoindolin-1-one (CAS# 675109-45-2) is used in the synthesis of a novel potent glycoprotein IIb-IIIa (GP IIb-IIIa) receptor antagonist based on the isoindolone skeleton. |
Molecular Weight: | 148.16 |
Molecular Formula: | C8H8N2O |
Canonical SMILES: | C1C2=C(C=C(C=C2)N)C(=O)N1 |
InChI: | InChI=1S/C8H8N2O/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-3H,4,9H2,(H,10,11) |
InChI Key: | PGKXYAZNGUURHR-UHFFFAOYSA-N |
LogP: | 1.42220 |
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 |
WO-2021110076-A1 | Oxamide derivatives, preparation method therefor and use thereof in medicine | 20191204 |
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WO-2021032934-A1 | Enzyme inhibitors | 20190821 |
WO-2021003314-A1 | Heterocyclic compounds as kinase inhibitors | 20190702 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.063662883 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 55.1 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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