UCSF

ZINC00161988

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N-(2-CHLOROBENZYL)-N-METHYLAMINE N-(2-CHLOROBENZYL)-N-METHYLAMINE

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CAS Numbers: 94-64-4 , [94-64-4]

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) 2.13 -0.17 -34.48 2 1 1 17 156.636 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 172 - 174 Enamine Building Blocks
MP 172...174 Enamine Building Blocks
Boiling_Point 225-226? Alfa-Aesar
Boiling_Point 225-226° Alfa-Aesar
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.