UCSF

ZINC04262585

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 10 Yes

Popular Name: (S)-3-t-butyl-beta-alanine (S)-3-t-butyl-beta-alanine

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CAS Numbers: 204191-43-5 , 336185-29-6 , 367278-48-6 , [204191-43-5]

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) 0.40 1.85 -40.27 3 3 0 68 145.202 3 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 223 - 225 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Boiling_Point n.d. Squarix
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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