UCSF

ZINC01529077

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 14 Yes

Popular Name: N-Boc-3-(Methylamino)propanoic acid N-Boc-3-(Methylamino)propanoic acid

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CAS Numbers: 124072-61-3 , [124072-61-3]

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) 0.89 4.27 -49.03 0 5 -1 70 202.23 5 ↓
Hi High (pH 8-9.5) 3.48 8.39 -4.92 0 2 0 26 228.339 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 59-62° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings Irritant Matrix Scientific

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