UCSF

ZINC00157327

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 9 Yes

Popular Name: 4-Dimethylaminobutyric acid hydrochloride 4-Dimethylaminobutyric acid hydr…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 139620-14-7 , 693-11-8 , 69954-66-1 , [693-11-8] , [69954-66-1]

Download: MOL2 SDF SMILES Flexibase

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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) 0.13 4.05 -57.2 1 3 0 45 131.175 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 147 - 149 Enamine Building Blocks
MP 147...149 Enamine Building Blocks
MP 153 - 155 Enamine Building Blocks
Melting_Point 153-155? Alfa-Aesar
Melting_Point 153-155° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0618222A3; US5643878 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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