UCSF

ZINC00403491

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 Yes

Popular Name: Methyl 3-amino-2-methylbenzoate Methyl 3-amino-2-methylbenzoate

Find On: PubMed — Wikipedia — Google

CAS Number: 18583-89-6

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) 1.61 3.68 -6.09 2 3 0 52 165.192 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 100-105°/1mm Matrix Scientific
BP 160 / 14 TCI
Boiling_Point 300? Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.