UCSF

ZINC22009721

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 14 Yes

Popular Name: (S)-1-Benzyl-3-methylaminopyrrolidine (S)-1-Benzyl-3-methylaminopyrrol…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 108963-18-4 , 136725-54-7 , 144043-17-4 , 169749-99-9 , 18471-40-4 , 96568-35-3 , [169749-99-9] , [96568-35-3]

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) 1.64 5.3 -33.27 2 2 1 16 191.298 3 ↓
Mid Mid (pH 6-8) 1.64 4.13 -39.23 2 2 1 20 191.298 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 107 / 2.3 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
melting_point Oil KeyOrganics

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