UCSF

ZINC02528053

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 Yes

Popular Name: 3-(Cyclooctylamino)propionitrile 3-(Cyclooctylamino)propionitrile

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CAS Numbers: 206559-53-7 , [206559-53-7]

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) 2.47 1.04 -52.95 2 2 1 40 181.303 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 124°/1mm Matrix Scientific
Purity 98% Matrix Scientific
Warnings Irritant Matrix Scientific

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