[(1E)-1-({[(tert-butoxy)carbonyl]amino}imino)-2-(4-methoxyphenyl)ethyl](2,2,2-trifluoroethyl)amine
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Basic information
- CAS
1053657-61-6- Standard SMILES
COc1ccc(CC(=NCC(F)(F)F)NNC(=O)OC(C)(C)C)cc1- InChIKey
AIQLVZCDZJBKLU-UHFFFAOYSA-N- Molecular formula
- C16H22F3N3O3
- Average molar mass
- 361.36 g/mol
- Monoisotopic mass
- 361.16132606
Names & identifiers
- Preferred name
- [(1E)-1-({[(tert-butoxy)carbonyl]amino}imino)-2-(4-methoxyphenyl)ethyl](2,2,2-trifluoroethyl)amine
- IUPAC
- tert-butyl N-[[C-[(4-methoxyphenyl)methyl]-N-(2,2,2-trifluoroethyl)carbonimidoyl]amino]carbamate
- English name
- N'-[2-(4-Methoxyphenyl)-1-(2,2,2-trifluoroethylami no)ethylidene]hydrazinecarboxylic acid tert-butyl
- Molecular formula
- C16H22F3N3O3
- Molecular weight
- 361.36
Names & synonyms
1053657-61-6[(1E)-1-({[(tert-butoxy)carbonyl]amino}imino)-2-(4-methoxyphenyl)ethyl](2,2,2-trifluoroethyl)amineN'-[2-(4-Methoxyphenyl)-1-(2,2,2-trifluoroethylamino)ethylidene]hydrazinecarboxylic acid tert-butylMFCD10568255N'-[2-(4-METHOXYPHENYL)-1-(2,2,2-TRIFLUOROETHYLAMINO)ETHYLIDENE]HYDRAZINECARBOXYLIC ACID TERT-BUTYL ESTERN'-[2-(4-Methoxyphenyl)-1-(2,2,2-trifluoroethylami no)ethylidene]hydrazinecarboxylic acid tert-butyl estertert-butyl N-[[C-[(4-methoxyphenyl)methyl]-N-(2,2,2-trifluoroethyl)carbonimidoyl]amino]carbamateCHEMBL4932280C16H22F3N3O3AKOS015996804CS-0440294F047322
Show more names
N'-[2-(4-Methoxyphenyl)-1-(2,2,2-trifluoroethylami no)ethylidene]hydrazinecarboxylic acid tertN'-[2-(4-Methoxyphenyl)-1-(2,2,2-trifluoroethylami no)ethylidene]hydrazinecarboxylic acid tert-buHydrazinecarboxylic acid, 2-[2-(4-methoxyphenyl)-1-[(2,2,2-trifluoroethyl)imino]ethyl]-, 1,1-dimethylethyl ester
2-Methyl-2-propanyl (2E)-2-{2-(4-methoxyphenyl)-1-[(2,2,2-trifluoroethyl)amino]ethylidene}hydrazinecarboxylateN'-[2-(4-Methoxyphenyl)-1-(2,2,2-trifluoroethylami no)ethylidene]hydrazinecarboxylic acid tert-butylTert-butyl 2-(2-(4-methoxyphenyl)-1-((2,2,2-trifluoroethyl)imino)ethyl)hydrazine-1-carboxylate
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 454
Physicochemical properties
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 8.99 · 8.99±0.46(Predicted)
- HazardClass
- IRRITANT
- HS Code
- 2928009090 · 2928009090
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
- hs_code
- 2928009090
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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