UCSF

ZINC02585616

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 22 Yes

Popular Name: 3-((tert-Butoxycarbonyl)amino)-3-(4-isopropylphenyl)propanoic acid 3-((tert-Butoxycarbonyl)amino)-3…

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CAS Numbers: 453557-73-8 , [453557-73-8]

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) 2.84 0.6 -52.02 1 5 -1 78 306.382 7 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 1.250000000000000e+002 - 1.280000000000000e+002 KeyOrganics
melting_point 125 - 128 KeyOrganics
MP 125-128° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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