UCSF

ZINC00050509

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: 1-(4-Methylphenyl)pyrrolidin-2-one 1-(4-Methylphenyl)pyrrolidin-2-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3063-79-4 , [3063-79-4]

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) 1.75 6.28 -9.76 0 2 0 20 175.231 1 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 86 - 88 Acros Organics
melting_point 88 - 90 KeyOrganics
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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