UCSF

ZINC00404288

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 11 Yes

Popular Name: 4-Amino-3-methylbenzoic acid 4-Amino-3-methylbenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2486-70-6 , 2486-79-6 , 400-76-0 , [2486-70-6]

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) 1.71 2.75 -54.55 2 3 -1 66 150.157 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 168 - 170 KeyOrganics
MP 169 - 171 Enamine Building Blocks
M.P 169-171 °C Indofine
Melting_Point 169-171? Alfa-Aesar
Melting_Point 169-171° Alfa-Aesar
MP 169...171 Enamine Building Blocks
MP 172 TCI
Melting_Point 212-215? Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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