UCSF

ZINC00404425

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 Yes

Popular Name: 1-(3-Aminophenyl)ethanol 1-(3-Aminophenyl)ethanol

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CAS Numbers: 2454-37-7 , 52273-77-5 , [2454-37-7]

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) 0.55 0.52 -4.83 3 2 0 46 137.182 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 217? Alfa-Aesar
Boiling_Point 217° Alfa-Aesar
Melting_Point 66-69? Alfa-Aesar
Melting_Point 66-69° Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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