UCSF

ZINC00168180

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 Yes

Popular Name: 2-methyl-1,3-benzoxazol-6-amine 2-methyl-1,3-benzoxazol-6-amine

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CAS Numbers: 5676-60-8 , [5676-60-8]

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) 1.00 0.02 -8.64 2 3 0 52 148.165 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 129 - 131 Enamine Building Blocks
MP 129...131 Enamine Building Blocks
MP 142 - 144 Enamine Building Blocks
melting_point 144 - 146 KeyOrganics
MP 144-146° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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