UCSF

ZINC01698907

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 10 Yes

Popular Name: 3-Dimethylaminopropionic acid ethyl ester 3-Dimethylaminopropionic acid et…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1117-37-9 , 20120-21-2 , [1117-37-9] , [20120-21-2]

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) 0.54 5.18 -37.91 1 3 1 31 146.21 5 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 56-57?/12mm Alfa-Aesar
Boiling_Point 56-57°/12mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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

No pre-computed analogs available. Try a structural similarity search.