UCSF

ZINC19735175

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 14 Yes

Popular Name: 1-(3-methylbenzyl)piperazine 1-(3-methylbenzyl)piperazine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5321-48-2 , 5321-61-9 , [5321-61-9]

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) 1.46 4.11 -39.64 2 2 1 20 191.298 2 ↓
Hi High (pH 8-9.5) 1.46 2.7 -2.75 1 2 0 15 190.29 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 106-108°/1mm Oakwood Chemical
MP 172 - 175 Enamine Building Blocks
MP 172...175 Enamine Building Blocks
Boiling_Point 265-267? Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific
melting_point Oil KeyOrganics

Activity (Go SEA)

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