UCSF

ZINC01848488

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 14 No

Popular Name: 3-((4-Formylphenyl)(methyl)amino)propanenitrile 3-((4-Formylphenyl)(methyl)amino…

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CAS Numbers: 94-21-3 , [94-21-3]

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) 1.29 6.06 -11.98 0 3 0 44 188.23 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 70 - 74 Enamine Building Blocks
MP 70...74 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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