UCSF

ZINC03883972

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 17 No

Popular Name: 3-nitro-4-piperidinobenzaldehyde 3-nitro-4-piperidinobenzaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 39911-29-0 , [39911-29-0]

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) 2.63 1.58 -15.61 0 5 0 66 234.255 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 50-54? Alfa-Aesar
Melting_Point 50-54° Alfa-Aesar
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000038639A1; WO2000038640A1 IBM Patent Data

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