UCSF

ZINC03884059

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 17 Yes

Popular Name: methyl 4-(5-amino-2-pyridinyl)benzenecarboxylate methyl 4-(5-amino-2-pyridinyl)be…

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CAS Numbers: 223127-54-6 , [223127-54-6]

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) 2.41 0.02 -9.84 2 4 0 65 228.251 3 ↓
Mid Mid (pH 6-8) 2.41 0.15 -36.95 3 4 1 66 229.259 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 189 - 192 KeyOrganics
MP 189-192° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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