UCSF

ZINC20216226

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 8 Yes

Popular Name: 3-(Dimethylamino)pyrrolidine 3-(Dimethylamino)pyrrolidine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13005-11-3 , 132883-44-4 , 132958-72-6 , 144043-20-9 , 152811-55-7 , 50534-42-4 , 69478-75-7 , 864448-61-3 , [132883-44-4] , [144043-20-9] , [152811-55-7] , [50534-42-4]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 0.25 0.48 -36 2 2 1 20 115.2 1 ↓
Hi High (pH 8-9.5) 0.25 1.47 -31.5 2 2 1 16 115.2 1 ↓
Hi High (pH 8-9.5) 0.25 -0.93 -1.6 1 2 0 15 114.192 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 164 TCI
Melting_Point 176-181? Alfa-Aesar
Melting_Point 176-181° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Fluorochem
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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

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