UCSF

ZINC05116315

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 10 Yes

Popular Name: 4-Methyl-1H-1,2,3-benzotriazole 4-Methyl-1H-1,2,3-benzotriazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 29385-43-1 , 29878-31-7 , 64665-57-2 , 97240-79-4 , [64665-57-2] , [97240-79-4]

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) 1.69 2.31 -7.71 1 3 0 42 133.154 0 ↓
Mid Mid (pH 6-8) 1.69 2.42 -6.69 1 3 0 42 133.154 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 141-146° Oakwood Chemical
MP 87 TCI
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0062864A2; EP0063962A2; EP0063962B2; EP0083239A2; EP0088724A1; EP0151813A2; EP0212968A2; EP0543250A1; EP0600411A1; EP0600411B1; EP0773298A1; EP0773298B1; EP0845018B1; EP0851282A1; EP0950656A1; EP1029541A1; US3985503; US4010035; US4022686; US4063950; US4 IBM Patent Data
PUBCHEM_PATENT_ID EP0688217A1; EP0689546A1; US5541193; WO1994021258A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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