UCSF

ZINC04992571

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 12 Yes

Popular Name: 2-Methyl-2-phenylamino-propionitrile 2-Methyl-2-phenylamino-propionit…

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CAS Numbers: 2182-38-9 , [2182-38-9]

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) 2.39 4.53 -7.1 1 2 0 36 160.22 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 89 - 91 Enamine Building Blocks
MP 89...91 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks
melting_point 93 - 96 KeyOrganics
MP 93-94° Matrix Scientific
MP 93-96° Matrix Scientific
purity 95 Enamine Building Blocks
Purity 95+% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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