UCSF

ZINC02166367

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 13 Yes

Popular Name: 3,4-diethoxyaniline 3,4-diethoxyaniline

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CAS Numbers: , 39052-12-5 , 4956-84-7 , [39052-12-5]

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) 1.41 3.41 -6.69 2 3 0 44 181.235 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 140 - 142 Enamine Building Blocks
MP 140...142 Enamine Building Blocks
MP 234 - 236 Enamine Building Blocks
MP 234...236 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% )