UCSF

ZINC03883463

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 19 Yes

Popular Name: 5-amino-1-(tert-butyl)-3-(4-methylphenyl)-1H-pyrazole-4-carbonitrile 5-amino-1-(tert-butyl)-3-(4-meth…

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CAS Numbers: 186896-24-2 , [186896-24-2]

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) 2.98 2.27 -8.86 2 4 0 67 254.337 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 155 - 159 KeyOrganics
MP 155-159° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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