UCSF

ZINC19418786

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 19 Yes

Popular Name: 3-Methyl-5-methoxycarbonyl-1-benzyl-4-piperidone hydrochloride, 99% 3-Methyl-5-methoxycarbonyl-1-ben…

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CAS Number: 205692-65-5

Other Names:

MFCD00143175

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.33 9.4 -37.9 1 4 0 54 261.321 4 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 190 - 192 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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

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