UCSF

ZINC02577763

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 17 Yes

Popular Name: 3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}propanenitrile 3-{[2-(3,4-dimethoxyphenyl)ethyl…

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CAS Numbers: 55982-97-3 , [55982-97-3]

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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) 0.66 5.75 -64.57 2 4 1 59 235.307 7 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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