Acetic acid, 2-[4-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitrobenzoyl]amino]phenyl]hydrazide
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Basic information
- CAS
63134-31-6- Standard SMILES
CCC(C)(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(NNC(C)=O)cc2)c(C(C)(C)CC)c1- InChIKey
XUIOFXBSILOFII-UHFFFAOYSA-N- Molecular formula
- C31H38N4O5
- Average molar mass
- 546.7 g/mol
- Monoisotopic mass
- 546.28422033
Names & identifiers
- Preferred name
- Acetic acid, 2-[4-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitrobenzoyl]amino]phenyl]hydrazide
- IUPAC
- N-[4-(2-acetylhydrazinyl)phenyl]-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-5-nitrobenzamide
- English name
- Acetic acid 2-[4-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitrobenzoyl]amino]phenyl] hydrazide
- Molecular formula
- C31H38N4O5
- Molecular weight
- 546.66
Names & synonyms
63134-31-6Acetic acid, 2-[4-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitrobenzoyl]amino]phenyl]hydrazideDTXSID40697131-Acetyl-2-(4-(5-nitro-2-(2,4-di-tert-pentylphenoxy)benzamido)phenyl)hydrazineAcetic acid, 2-(4-((2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-5-nitrobenzoyl)amino)phenyl)hydrazideRefChem:108914DTXCID4043694XUIOFXBSILOFII-UHFFFAOYSA-NAcetic acid 2-[4-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitrobenzoyl]amino]phenyl] hydrazideN-[4-(2-Acetylhydrazin-1-yl)phenyl]-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-5-nitrobenzamide
Database identifiers
- CAS
63134-31-6- PubChem CID
- 5485915
- DTXSID
DTXSID4069713- Nikkaji
- J429.519F
Properties
Computed structural propertiesFilling in
- XLogP
- 8
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 864
Physicochemical properties
- EPA Substance Registry System
- 2 · Acetic acid, 2-[4-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitrobenzoyl]amino]phenyl]hydrazide (63134-31-6)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetic acid, 2-[4-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-nitrobenzoyl]amino]phenyl]hydrazide: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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