UCSF

ZINC03411323

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 10 Yes

Popular Name: (R)-1-o-Tolylethanamine hydrochloride (R)-1-o-Tolylethanamine hydrochl…

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CAS Numbers: , 105615-45-0 , 35106-87-7 , 42142-17-6 , 856562-88-4 , 955998-64-8 , [105615-45-0] , [42142-17-6] , [856562-88-4]

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) 0.20 3.73 -42.91 3 1 1 28 136.218 1 ↓

Vendor Notes

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

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