UCSF

ZINC19419068

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 15 Yes

Popular Name: Morpholin-4-yl(phenyl)acetonitrile Morpholin-4-yl(phenyl)acetonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 15190-10-0 , 31788-74-6

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) 1.56 4.06 -5.57 0 3 0 36 202.257 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 64 - 66 KeyOrganics
Melting_Point 67-71? Alfa-Aesar
Melting_Point 67-71° Alfa-Aesar
MP 68 - 70 Enamine Building Blocks
MP 68...70 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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

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