UCSF

ZINC00161989

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 10 Yes

Popular Name: N-Methyl-4-fluorobenzylamine N-Methyl-4-fluorobenzylamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 405-66-3 , 407640-21-5 , 459-20-1 , [405-66-3]

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) 1.66 4.48 -42.8 2 1 1 17 140.181 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 164 - 166 Enamine Building Blocks
MP 164...166 Enamine Building Blocks
Boiling_Point 180-181? Alfa-Aesar
Boiling_Point 180-181° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Air Sensitive Matrix Scientific

Activity (Go SEA)

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