4H-1,2,4-Triazolium, 5-[2-[4-[ethyl(phenylmethyl)amino]phenyl]diazenyl]-1,4-dimethyl-, acetate (1:1)
Basic information
- CAS
69121-27-3- Standard SMILES
CC(=O)[O-].CCN(Cc1ccccc1)c1ccc(N=Nc2n(C)nc[n+]2C)cc1- InChIKey
SGPRNXWORCCTOU-UHFFFAOYSA-M- Molecular formula
- C21H26N6O2
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.21172409
Names & identifiers
- Preferred name
- 4H-1,2,4-Triazolium, 5-[2-[4-[ethyl(phenylmethyl)amino]phenyl]diazenyl]-1,4-dimethyl-, acetate (1:1)
- IUPAC
- N-benzyl-4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N-ethylaniline acetate
Names & synonyms
69121-27-35-((4-(Ethyl(phenylmethyl)amino)phenyl)azo)-1,4-dimethyl-1H-1,2,4-triazolium acetate1H-1,2,4-Triazolium, 5-((4-(ethyl(phenylmethyl)amino)phenyl)azo)-1,4-dimethyl-, acetate4H-1,2,4-Triazolium, 5-(2-(4-(ethyl(phenylmethyl)amino)phenyl)diazenyl)-1,4-dimethyl-, acetate (1:1)1H-1,2,4-Triazolium, 5-[[4-[ethyl(phenylmethyl)amino]phenyl]azo]-1,4-dimethyl-, acetate4H-1,2,4-Triazolium, 5-[2-[4-[ethyl(phenylmethyl)amino]phenyl]diazenyl]-1,4-dimethyl-, acetate (1:1)RefChem:100658DTXSID70988841SGPRNXWORCCTOU-UHFFFAOYSA-M(1Z,4Z)-N-Benzyl-4-[(2,4-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-ylidene)hydrazinylidene]-N-ethylcyclohexa-2,5-dien-1-iminium acetateN-Benzyl-4-[(2,4-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-ylidene)hydrazinylidene]-N-ethylcyclohexa-2,5-dien-1-iminium acetate
Database identifiers
- CAS
69121-27-3- PubChem CID
- 112244
- DTXSID
DTXSID70988841
Properties
Computed structural properties
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 440
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4H-1,2,4-Triazolium, 5-[2-[4-[ethyl(phenylmethyl)amino]phenyl]diazenyl]-1,4-dimethyl-, acetate (1:1): INACTIVE
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Related reactions
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Compound notes
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