UCSF

ZINC05425028

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 11 Yes

Popular Name: 5,6-dimethyl-1H-1,2,3-benzotriazole 5,6-dimethyl-1H-1,2,3-benzotriazole

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CAS Number: 4184-79-6

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) 2.09 2.89 -7.18 1 3 0 42 147.181 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 153 - 156 Acros Organics
Melting_Point 153-157? Alfa-Aesar
Melting_Point 153-157° Alfa-Aesar
MP 154 TCI
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0005823A1; EP0133163A2; EP0220746A2; EP0220746B1; EP0335319A2; EP0335319B1; EP0371522A1; EP0388201A2; EP0388201B1; EP0393720A2; EP0393720B1; EP0393721A2; EP0393721B1; EP0395069A2; EP0395069B1; EP0398285A2; EP0398285B1; EP0420005B1; EP0423742A3; EP043602 IBM Patent Data
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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