UCSF

ZINC19735764

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 9 Yes

Popular Name: 2-Pyrrolidin-1-yl-propylamine 2-Pyrrolidin-1-yl-propylamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 50998-07-7 , [50998-07-7]

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) -0.12 2.52 -106.39 4 2 2 32 130.235 2 ↓
Hi High (pH 8-9.5) -0.12 2.81 -26.18 3 2 1 30 129.227 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0518216A2; EP0518216A3 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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