UCSF

ZINC12137831

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2008 12 Yes

Popular Name: (3-butoxyphenyl)amine (3-butoxyphenyl)amine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 23079-68-7 , 70743-76-9 , [23079-68-7]

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) 2.48 -0.62 -3.89 2 2 0 35 165.236 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 123 - 125 Enamine Building Blocks
MP 123...125 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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