UCSF

ZINC14807022

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 10 Yes

Popular Name: N-methyl-1-pyridin-2-ylethanamine N-methyl-1-pyridin-2-ylethanamine

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CAS Numbers: 114366-07-3 , 1171556-14-1 , 1353945-41-1 , [114366-07-3]

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) 0.89 3.44 -32.21 2 2 1 29 137.206 2 ↓
Lo Low (pH 4.5-6) 0.89 3.95 -99.1 3 2 2 31 138.214 2 ↓

Vendor Notes

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

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