UCSF

ZINC32522364

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2009 14 Yes

Popular Name: 1-(4-Methoxy-phenyl)-N*1*,N*1*-dimethyl-ethane-1,2-diamine 1-(4-Methoxy-phenyl)-N*1*,N*1*-d…

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CAS Number: 851169-57-8

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) 0.79 3.63 -117.04 4 3 2 41 196.294 4 ↓
Mid Mid (pH 6-8) 0.79 3.29 -36.51 3 3 1 40 195.286 4 ↓
Mid Mid (pH 6-8) 0.79 1.68 -46.39 3 3 1 40 195.286 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 159 - 162 Enamine Building Blocks
MP 159...162 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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