UCSF

ZINC40449034

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 9 Yes

Popular Name: 3-isopropylmorpholine 3-isopropylmorpholine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1227917-52-3 , 74572-01-3 , 927802-40-2 , [74572-01-3] , [927802-40-2]

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) 1.05 1.98 -35.51 2 2 1 26 130.211 1 ↓
Hi High (pH 8-9.5) 1.05 0.8 -2.08 1 2 0 21 129.203 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US4424202; US4440781 IBM Patent Data

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Rings

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