UCSF

ZINC06020730

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2006 14 Yes

Popular Name: 2-(3,4-dimethoxyphenyl)propan-1-amine 2-(3,4-dimethoxyphenyl)propan-1-…

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CAS Number: 55174-61-3

Other Names:

LS-103313

MFCD11590270

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) 1.37 -0.88 -51.31 3 3 1 46 196.27 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0399358A2; EP0399358B1; EP0589491A1; EP0633248A1; US5166188; US5292770; US5430059 IBM Patent Data

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