UCSF

ZINC00158890

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 No

Popular Name: 4-(1H-imidazol-1-yl)benzaldehyde 4-(1H-imidazol-1-yl)benzaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10040-98-9 , N/A , [10040-98-9]

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) 1.06 6.62 -10.82 0 3 0 35 172.187 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 142 - 145 Acros Organics
melting_point 148 - 150 KeyOrganics
MP 148-150° Matrix Scientific
MP 153 - 155 Enamine Building Blocks
MP 153...155 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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

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