UCSF

ZINC19818956

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 12 Yes

Popular Name: ethyl 2-aminonicotinate ethyl 2-aminonicotinate

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CAS Numbers: 13362-26-0 , [13362-26-0]

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) 0.68 3.09 -5.99 2 4 0 65 166.18 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
Melting_Point 90-96? lit. Alfa-Aesar
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
melting_point 96 - 98 KeyOrganics
MP 96-98° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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