UCSF

ZINC40457300

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 12 Yes

Popular Name: [3-(3,4,5-Trimethyl-1H-pyrazol-1-yl)propyl]amine [3-(3,4,5-Trimethyl-1H-pyrazol-1…

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CAS Numbers: 69980-77-4 , [69980-77-4]

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) 0.28 2.96 -48.39 3 3 1 45 168.264 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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