5-Aminobenzotriazole - CAS 3325-11-9
Catalog: |
BB021631 |
Product Name: |
5-Aminobenzotriazole |
CAS: |
3325-11-9 |
Synonyms: |
2H-benzotriazol-5-amine; 2H-benzotriazol-5-amine |
IUPAC Name: | 2H-benzotriazol-5-amine |
Description: | 5-Aminobenzotriazole (CAS# 3325-11-9) is a useful research chemical. It is used in the one-pot preparation, SAR, antitumor activity, apoptosis, molecular docking and tyrosine kinase inhibition of pyrazolo[4,3-f]quinoline derivatives. |
Molecular Weight: | 134.14 |
Molecular Formula: | C6H6N4 |
Canonical SMILES: | C1=CC2=NNN=C2C=C1N |
InChI: | InChI=1S/C6H6N4/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,7H2,(H,8,9,10) |
InChI Key: | XSFHICWNEBCMNN-UHFFFAOYSA-N |
Boiling Point: | 387.4 °C at 760 mmHg |
Density: | 1.48 g/cm3 |
MDL: | MFCD00047209 |
LogP: | 1.12130 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.059246208 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.059246208 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 67.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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Benzotriazoles
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