2-(4-Fluorophenyl)-6-methyl-2H-benzotriazol-5-amine
Basic information
- CAS
436086-84-9- Standard SMILES
Cc1cc2nn(-c3ccc(F)cc3)nc2cc1N- InChIKey
IGNZBKSODFTDHY-UHFFFAOYSA-N- Molecular formula
- C13H11FN4
- Average molar mass
- 242.25 g/mol
- Monoisotopic mass
- 242.09677453
Names & identifiers
- Preferred name
- 2-(4-Fluorophenyl)-6-methyl-2H-benzotriazol-5-amine
- IUPAC
- 2-(4-fluorophenyl)-6-methylbenzotriazol-5-amine
- English name
- 2-(4-Fluoro-phenyl)-6-methyl-2H-benzotriazol-5-yl-amine
- Molecular formula
- C13H11FN4
- Molecular weight
- 242.25
Names & synonyms
436086-84-92-(4-fluorophenyl)-6-methyl-2H-benzotriazol-5-amineDTXSID30356365RefChem:252374DTXCID403074242-(4-fluorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-amine2-(4-Fluoro-phenyl)-6-methyl-2H-benzotriazol-5-yl-amine2-(4-Fluorophenyl)-6-methyl-2H-benzo[d][1,2,3]triazol-5-amine2-(4-fluorophenyl)-6-methylbenzotriazol-5-amineMFCD030315692-(4-fluorophenyl)-6-methyl-benzotriazol-5-amine2-(4-Fluoro-phenyl)-6-methyl-2H-benzotriazol-5-ylamine
Show more names
ST5018230AKOS BB-7668BAS 03718306SMR000523818ZINC00339550ASISCHEM S88727ZERENEX E/50176702-(4-fluorophenyl)-6-methyl-5-benzotriazolamine
2H-1,2,3-benzotriazol-5-amine, 2-(4-fluorophenyl)-6-methyl-2-(4-fluorophenyl)-6-methyl-2-hydrobenzotriazole-5-ylamineOprea1_466217MLS001210244CHEMBL1471417SCHEMBL29349857HMS2818G08ALBB-026825
Database identifiers
- CAS
436086-84-9- PubChem CID
- 822280
- DTXSID
DTXSID30356365- ChEMBL
CHEMBL1471417
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 293
Experimental & physicochemical properties
Solubility1.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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