UCSF

ZINC13588323

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 11 Yes

Popular Name: 4-amino-1-isoindolinone 4-amino-1-isoindolinone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 366452-98-4 , [366452-98-4]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.15 -0.15 -10.63 3 3 0 55 148.165 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 200 - 202 KeyOrganics
MP 200-202° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000055134A1 IBM Patent Data

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Analogs ( Draw Identity 99% 90% 80% 70% )