UCSF

ZINC01422946

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 20 Yes

Popular Name: Ethyl 1-[(2-aminophenyl)carbonyl]piperidine-4-carboxylate Ethyl 1-[(2-aminophenyl)carbonyl…

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CAS Number: 696654-85-0

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) 1.35 -0.4 -11.05 2 5 0 72 276.336 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 103 - 104 KeyOrganics
MP 103-104° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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