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-dihydro-1H-isoindol-1-one
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BB033299
10 g
$349
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BB033299
25 g
$699
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IUPAC Name: 6-amino-2,3-dihydroisoindol-1-one
Description: 6-Aminoisoindolin-1-one 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
Boiling Point: 499.9±45.0 °C (Predicted)
Melting Point: 247 °C
Purity: ≥95%
Density: 1.307±0.06 g/cm3 (Predicted)
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
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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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Related Functional Groups
Amines and Anilines
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