UCSF

ZINC25695618

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2009 10 Yes

Popular Name: N,N'-Dimethyl-1,2-cyclohexanediamine N,N'-Dimethyl-1,2-cyclohexanedia…

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CAS Numbers: 1351479-10-1 , 61798-24-1 , 67579-81-1 , 68173-05-7 , 70708-33-7 , 87583-89-9 , [68173-05-7] , [70708-33-7]

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) 1.27 3.23 -109.71 4 2 2 33 144.262 2 ↓
Hi High (pH 8-9.5) 1.27 2.37 -33.18 3 2 1 29 143.254 2 ↓
Hi High (pH 8-9.5) 1.27 1.97 -32.38 3 2 1 29 143.254 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 83 / 13 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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