3-phenyl-4H-1,2,4-triazol-4-amine
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Basic information
- CAS
38345-23-2- Standard SMILES
Nn1cnnc1-c1ccccc1- InChIKey
DVJJKDFCKNSIDG-UHFFFAOYSA-N- Molecular formula
- C8H8N4
- Average molar mass
- 160.18 g/mol
- Monoisotopic mass
- 160.07489627
Names & identifiers
- Preferred name
- 3-phenyl-4H-1,2,4-triazol-4-amine
- IUPAC
- 3-phenyl-1,2,4-triazol-4-amine
- English name
- 3-PHENYL-4H-1,2,4-TRIAZOL-4-AMINE
- Molecular formula
- C8H8N4
- Molecular weight
- 0
Names & synonyms
3-phenyl-4H-1,2,4-triazol-4-amine38345-23-24H-1,2,4-Triazol-4-amine,3-phenyl-3-phenyl-1,2,4-triazol-4-amineSCHEMBL544634SCHEMBL8629840DTXSID60427855NBA34523AKOS022225592EN300-143254-amino-3-phenyl-1,2,4-triazole
Database identifiers
- CAS
38345-23-2- PubChem CID
- 7130679
- DTXSID
DTXSID60427855
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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