UCSF

ZINC00309037

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Substance Information

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

Popular Name: 4-(pyrrolidin-1-yl)benzaldehyde 4-(pyrrolidin-1-yl)benzaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 51980-54-2 , [51980-54-2]

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) 2.23 -0.65 -6.36 0 2 0 20 175.231 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 82-85? Alfa-Aesar
Melting_Point 82-85° Alfa-Aesar
MP 84-85° Matrix Scientific
MP 85 TCI
MP 85 - 87 Enamine Building Blocks
MP 85...87 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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