Basic information
- CAS
18643-47-5- Standard SMILES
CCC(C)(C)c1ccc(OCCCCNC(=O)c2cc(Oc3ccc([N+](=O)[O-])cc3)c3ccccc3c2O)c(C(C)(C)CC)c1- InChIKey
ZSDDKJNSRHOOHU-UHFFFAOYSA-N- Molecular formula
- C37H44N2O6
- Average molar mass
- 612.8 g/mol
- Monoisotopic mass
- 612.31993713
Names & identifiers
- Preferred name
- 2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-(4-nitrophenoxy)-
- IUPAC
- N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-(4-nitrophenoxy)naphthalene-2-carboxamide
- English name
- N-[4-(2,4-di-tert-pentylphenoxy)butyl]-1-hydroxy-4-(p-nitrophenoxy)-2-naphthoamide
- Molecular formula
- C37H44N2O6
- Molecular weight
- 612.76
Names & synonyms
2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-(4-nitrophenoxy)-DTXSID80663952-Naphthalenecarboxamide, N-(4-(2,4-bis(1,1-dimethylpropyl)phenoxy)butyl)-1-hydroxy-4-(4-nitrophenoxy)-RefChem:476587DTXCID303589218643-47-5N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-hydroxy-4-(4-nitrophenoxy)naphthalene-2-carboxamideCHEMBL3747291N-[4-(2,4-di-tert-pentylphenoxy)butyl]-1-hydroxy-4-(p-nitrophenoxy)-2-naphthoamideN-[4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-(4-nitrophenoxy)-2-naphthalenecarboxamideN-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-(4-nitrophenoxy)naphthalene-2-carboxamideN-(4-(2,4-Di-tert-pentylphenoxy)butyl)-1-hydroxy-4-(p-nitrophenoxy)-2-naphthoamide
Show more names
N-(4-(2,4-DI-T-PENTYLPHENOXY)BUTYL)-1-HYDROXY-4-(4-NITRO-PHO)-2-NAPHTHAMIDEN-(4-(2,4-Di-tert-pentylphenoxy)butyl)-1-hydroxy-4-(p-nitrophenoxy)-2-naphthoamid1-Hydroxy-4-(p-nitrophenoxy)-N-[4-(2,4-di-tert-pentylphenoxy)butyl]-2-naphthalenecarboxamide
Properties
Computed structural properties
- XLogP
- 10.8
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 942
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 736 · 736.0±60.0 °C(Predicted)
- Density
- 1.158 · 1.158±0.06 g/cm3(Predicted)
- pka
- 8 · 8.00±0.50(Predicted)
- EPA Substance Registry System
- 2 · 2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-(4-nitrophenoxy)- (18643-47-5)
- 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 Information2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-(4-nitrophenoxy)-: ACTIVE
Suppliers3 total
HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Service Chemical Inc.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…