UCSF

ZINC39952071

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 11 Yes

Popular Name: 1-(2,3-dimethylphenyl)ethan-1-amine 1-(2,3-dimethylphenyl)ethan-1-amine

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CAS Numbers: 1032036-48-8 , 42291-01-0

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) 0.60 4.36 -42.61 3 1 1 28 150.245 1 ↓

Vendor Notes

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

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