UCSF

ZINC12957668

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 12 No

Popular Name: 2-(3-Nitrophenyl)ethanamine hydrochloride 2-(3-Nitrophenyl)ethanamine hydr…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 19008-62-9 , 19499-61-7 , 83304-13-6 , [19008-62-9] , [83304-13-6]

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) 0.86 3.99 -55.72 3 4 1 73 167.188 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 199 - 201 Enamine Building Blocks
MP 199...201 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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

No pre-computed analogs available. Try a structural similarity search.