UCSF

ZINC02513178

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Popular Name: 2-amino-1-(4-chlorophenyl)-1-ethanol 2-amino-1-(4-chlorophenyl)-1-eth…

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CAS Numbers: 128535-89-7 , 41870-82-0 , 6314-53-0 , [41870-82-0]

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) 0.61 0.73 -47.79 4 2 1 48 172.635 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
melting_point 93 - 96 KeyOrganics
MP 93-96° Matrix Scientific
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
MP 97 - 99 Enamine Building Blocks
MP 97...99 Enamine Building Blocks
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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