UCSF

ZINC02533926

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Popular Name: 1-(3-Methoxyphenyl)-N-methylmethanamine 1-(3-Methoxyphenyl)-N-methylmeth…

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CAS Numbers: 41789-95-1 , [41789-95-1]

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) 1.53 3.71 -38.83 2 2 1 26 152.217 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 130 - 140 Enamine Building Blocks
Boiling_Point 130-133? Alfa-Aesar
Boiling_Point 130-133° Alfa-Aesar
MP 130...140 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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