UCSF

ZINC00109495

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 8 No

Popular Name: 1-Methyl-1H-pyrazole-4-carbaldehyde 1-Methyl-1H-pyrazole-4-carbaldehyde

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CAS Numbers: 152120-54-2 , 25016-11-9 , [25016-11-9]

Download: MOL2 SDF SMILES Flexibase

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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) 0.11 2.03 -11.86 0 3 0 35 110.116 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 29-34? Alfa-Aesar
Melting_Point 29-34° Alfa-Aesar
MP 31 - 33 Enamine Building Blocks
MP 31...33 Enamine Building Blocks
BP 60-62°/0.08mm Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 96% Fluorochem
Warnings IRRITANT Matrix Scientific

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