UCSF

ZINC02380327

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 13 Yes

Popular Name: 3-[(2-Phenylethyl)amino]propanenitrile 3-[(2-Phenylethyl)amino]propanen…

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CAS Numbers: 1488-20-6 , 73605-24-0 , [1488-20-6]

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) 1.01 6.55 -57.19 2 2 1 40 175.255 5 ↓

Vendor Notes

Note Type Comments Provided By
BP 133°/0.08 Torr Matrix Scientific
Warnings IRRITANT Matrix Scientific

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