UCSF

ZINC00117584

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: isopropyl 4-aminobenzoate isopropyl 4-aminobenzoate

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CAS Numbers: 18144-43-9 , [18144-43-9]

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) 1.92 4.65 -7.13 2 3 0 52 179.219 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 190-192°/0.5 Torr Matrix Scientific
MP 84 TCI
MP 86° Matrix Scientific
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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