UCSF

ZINC00407012

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 10 Yes

Popular Name: 3-(Diethylamino)-1,2-propanediol 3-(Diethylamino)-1,2-propanediol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 621-56-7 , [621-56-7]

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) -0.18 -0.59 -33.54 3 3 1 45 148.226 5 ↓

Vendor Notes

Note Type Comments Provided By
BP 233 TCI
Boiling_Point 233-235? Alfa-Aesar
Boiling_Point 233-235° Alfa-Aesar
Purity 95% Fluorochem
PUBCHEM_PATENT_ID WO2000047212A1 IBM Patent Data

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