UCSF

ZINC31362504

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2009 11 Yes

Popular Name: 3-{[3-(dimethylamino)propyl]amino}propanenitrile 3-{[3-(dimethylamino)propyl]amin…

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CAS Numbers: 69852-45-5 , [69852-45-5]

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) -0.49 3.49 -41.06 2 3 1 40 156.253 6 ↓
Mid Mid (pH 6-8) -0.49 2.36 -54.87 2 3 1 44 156.253 6 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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