UCSF

ZINC19371402

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 16 Yes

Popular Name: Phenethyl-pyridin-3-ylmethyl-amine Phenethyl-pyridin-3-ylmethyl-amine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 16562-17-7 , 6389-60-2 , [16562-17-7] , [6389-60-2]

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) 2.06 5.89 -4.92 1 2 0 25 212.296 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 216-218° Matrix Scientific
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% )