UCSF

ZINC02524619

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Popular Name: 1-(3-ethoxyphenyl)methanamine 1-(3-ethoxyphenyl)methanamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 93071-76-2 , [93071-76-2]

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) 1.53 2.76 -44.23 3 2 1 37 152.217 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO1997017333A1 IBM Patent Data

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