UCSF

ZINC02566119

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 Yes

Popular Name: Methyl 4-amino-3-methoxybenzoate Methyl 4-amino-3-methoxybenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 41608-64-4 , [41608-64-4]

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) 1.58 2.43 -7.45 2 4 0 62 181.191 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 126-127° Oakwood Chemical
MP 128 - 130 Enamine Building Blocks
melting_point 128 - 131 KeyOrganics
MP 128-131° Matrix Scientific
MP 128...130 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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