UCSF

ZINC19702378

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 10 Yes

Popular Name: 3-(Piperazin-1-yl)propanenitrile 3-(Piperazin-1-yl)propanenitrile

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CAS Numbers: , 1044707-28-9 , 34064-86-3 , [34064-86-3]

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) -0.90 1.17 -45.1 2 3 1 44 140.21 2 ↓
Hi High (pH 8-9.5) -0.90 -0.19 -6.06 1 3 0 39 139.202 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
BP 95-98°/3mm Matrix Scientific
Purity 97% Matrix Scientific
Warnings Irritant Matrix Scientific

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