UCSF

ZINC05138306

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 11 Yes

Popular Name: 4-Isobutylaniline 4-Isobutylaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 120570-67-4 , 30090-17-6

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) 2.31 0.04 -2.17 2 1 0 26 149.237 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 210 - 212 Enamine Building Blocks
MP 210...212 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID WO1993007128A1 IBM Patent Data

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