UCSF

ZINC08730190

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 17 Yes

Popular Name: Methyl 4-(3-aminopyridin-2-yl)benzoate Methyl 4-(3-aminopyridin-2-yl)be…

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CAS Numbers: 924869-19-2 , [924869-19-2]

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) 2.19 0.16 -8.1 2 4 0 65 228.251 3 ↓
Mid Mid (pH 6-8) 2.19 0.27 -36.55 3 4 1 66 229.259 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 135 - 137 KeyOrganics
MP 135-137° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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