UCSF

ZINC43827393

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 18 Yes

Popular Name: 1-(tert-butoxycarbonyl)-3-ethyl-3-piperidinecarboxylic acid 1-(tert-butoxycarbonyl)-3-ethyl-…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 887591-65-3 , [887591-65-3]

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) 1.98 7.34 -46.5 0 5 -1 70 256.322 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 1.500000000000000e+002 - 1.520000000000000e+002 KeyOrganics
melting_point 150 - 152 KeyOrganics
MP 150-152°(dec) Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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