UCSF

ZINC38340220

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 11 Yes

Popular Name: N*1*-Cyclohexyl-N*1*-methyl-ethane-1,2-diamine N*1*-Cyclohexyl-N*1*-methyl-etha…

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CAS Numbers: 1177346-07-4 , 14256-69-0 , 245487-33-6

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) 1.05 3.87 -111.94 4 2 2 32 158.289 3 ↓
Mid Mid (pH 6-8) 1.05 1.59 -40.91 3 2 1 31 157.281 3 ↓
Mid Mid (pH 6-8) 1.05 3.48 -30.8 3 2 1 30 157.281 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 195 - 197 Enamine Building Blocks
MP 195...197 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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