UCSF

ZINC04288322

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 16 No

Popular Name: 3-nitro-4-(pyrrolidin-1-yl)benzaldehyde 3-nitro-4-(pyrrolidin-1-yl)benza…

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CAS Numbers: 284679-97-6 , [284679-97-6]

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) 2.12 7.53 -8.01 0 5 0 66 220.228 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 102-104? Alfa-Aesar
Melting_Point 102-104° Alfa-Aesar
MP 107.5-108.5° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000038638A1; WO2000038639A1; WO2000038640A1; WO2000038641A1 IBM Patent Data

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