UCSF

ZINC02539916

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 No

Popular Name: 1-(3-Nitrophenyl)ethanamine hydrochloride 1-(3-Nitrophenyl)ethanamine hydr…

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CAS Numbers: 1037092-07-1 , 297730-27-9 , 83304-13-6 , 839709-98-7 , 90271-37-7 , 92259-19-3 , [90271-37-7] , [92259-19-3]

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) -0.26 3.89 -57.06 3 4 1 73 167.188 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 215 - 217 Enamine Building Blocks
MP 215...217 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% )