UCSF

ZINC00518571

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 13 Yes

Popular Name: 2-(pyrrolidin-1-ylmethyl)aniline 2-(pyrrolidin-1-ylmethyl)aniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 50591-59-8 , 55727-59-8 , [55727-59-8]

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) 1.58 5.59 -32.11 3 2 1 30 177.271 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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