Basic information
- CAS
53684-55-2- Standard SMILES
c1ccc(Nc2n[nH]nc2-c2ccccc2)cc1- InChIKey
ACLZPKMBZBHXJZ-UHFFFAOYSA-N- Molecular formula
- C14H12N4
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.1061964
Names & identifiers
- Preferred name
- N,5-diphenyl-2H-triazol-4-amine
- IUPAC
- N,5-diphenyl-2H-triazol-4-amine
Names & synonyms
53684-55-2N,5-diphenyl-2H-triazol-4-amineDTXSID40423294RefChem:358246DTXCID60374133N,4-diphenyl-1H-1,2,3-triazol-5-amineMLS000105068Cambridge id 5140720Oprea1_459787SCHEMBL2491021CHEMBL1345333HMS2344E18
Show more names
N,5-diphenyl-3H-triazol-4-amineCCG-2183AKOS003627258SMR000054997ST110108N,5-diphenyl-2H-1,2,3-triazol-4-amineAB00074348-01N,5-DIPHENYL-3H-1,2,3-TRIAZOL-4-AMINE
Database identifiers
- CAS
53684-55-2- PubChem CID
- 6401302
- DTXSID
DTXSID40423294- ChEMBL
CHEMBL1345333- EC Number
- 688-681-6
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 246
Experimental & physicochemical properties
LogP3.37
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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