N-(1H-1,2,3-benzotriazol-1-ylmethyl)-2-ethylaniline
Basic information
- CAS
127395-41-9- Standard SMILES
CCc1ccccc1NCn1nnc2ccccc21- InChIKey
HZRVJAPLYVNCMK-UHFFFAOYSA-N- Molecular formula
- C15H16N4
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.13749653
Names & identifiers
- Preferred name
- N-(1H-1,2,3-benzotriazol-1-ylmethyl)-2-ethylaniline
- IUPAC
- N-(benzotriazol-1-ylmethyl)-2-ethylaniline
- English name
- Benzotriazol-1-ylmethyl-(2-ethyl-phenyl)-amine
- Molecular formula
- C15H16N4
- Molecular weight
- 252.31
Names & synonyms
Oprea1_261249Oprea1_780479SCHEMBL2491779N-(1H-1,2,3-benzotriazol-1-ylmethyl)-2-ethylanilineAKOS001485066(benzotriazolylmethyl)(2-ethylphenyl)amineST50182395benzotriazol-1-ylmethyl-(2-ethyl-phenyl)-amineAE-641/10068029N-[(1H-benzotriazol-1-yl)methyl]-2-ethylanilineSR-01000404533SR-01000404533-1
Show more names
1H-Benzotriazole-1-methanamine, N-(2-ethylphenyl)-
Database identifiers
- CAS
127395-41-9- PubChem CID
- 728564
- EC Number
- 151-611-5
- Nikkaji
- J1.693.866A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Boiling point
- 468.267 · 468.267±38.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.187 · 1.187±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.469 · 2.469±0.50(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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