UCSF

ZINC32497029

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 15 Yes

Popular Name: 2-(2-Chlorophenyl)-2-pyrrolidin-1-ylethanamine 2-(2-Chlorophenyl)-2-pyrrolidin-…

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CAS Numbers: 1188265-89-5 , 791601-03-1

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) 1.76 6.21 -116.92 4 2 2 32 226.751 3 ↓
Hi High (pH 8-9.5) 1.76 5.73 -27.81 3 2 1 30 225.743 3 ↓
Mid Mid (pH 6-8) 1.76 4.63 -38.41 3 2 1 31 225.743 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 178 - 180 Enamine Building Blocks
MP 178...180 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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