UCSF

ZINC03705627

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 13 Yes

Popular Name: [1-(4-butylphenyl)ethyl]amine [1-(4-butylphenyl)ethyl]amine

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CAS Numbers: , 1212171-18-0 , 91552-69-1

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) 1.67 -0.58 -41.87 3 1 1 27 178.299 4 ↓

Vendor Notes

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

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