UCSF

ZINC12404648

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2008 11 Yes

Popular Name: 2-amino-2-(4-chlorophenyl)ethanol 2-amino-2-(4-chlorophenyl)ethanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1177295-60-1 , 1432682-01-3 , 179811-64-4 , 191109-51-0

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) -0.53 0.53 -43.59 4 2 1 48 172.635 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0191345A2; US4695630 IBM Patent Data

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