2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[(1-phenyl-1H-tetrazol-5-yl)thio]-
Basic information
- CAS
5084-12-8- Standard SMILES
CCC(C)(C)c1ccc(OCCCCNC(=O)c2cc(Sc3nnnn3-c3ccccc3)c3ccccc3c2O)c(C(C)(C)CC)c1- InChIKey
CFRUNFQXALDGBM-UHFFFAOYSA-N- Molecular formula
- C38H45N5O3S
- Average molar mass
- 651.9 g/mol
- Monoisotopic mass
- 651.32431149
Names & identifiers
- Preferred name
- 2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[(1-phenyl-1H-tetrazol-5-yl)thio]-
- IUPAC
- N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamide
- English name
- N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-(1-phenylt etrazol-5-yl)sulfanyl-naphthalene-2-carboxamide
- Molecular formula
- C38H45N5O3S
- Molecular weight
- 651.86
Names & synonyms
EINECS 225-796-9DTXSID60636962-Naphthalenecarboxamide, N-(4-(2,4-bis(1,1-dimethylpropyl)phenoxy)butyl)-1-hydroxy-4-((1-phenyl-1H-tetrazol-5-yl)thio)-2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[(1-phenyl-1H-tetrazol-5-yl)thio]-RefChem:476547DTXCID00409195084-12-8N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-hydroxy-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]naphthalene-2-carboxamideN-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-(1-phenylt etrazol-5-yl)sulfanyl-naphthalene-2-carboxamide748G7C9PAQSCHEMBL8088223STK332475
Show more names
di-pentylphenoxybutyl-1-hydroxyphenyltetrazolylthio-naphth1-Hydroxy-N-[4-(2,4-di-tert-pentylphenoxy)butyl]-4-(1-phenyl-1H-tetrazol-5-ylthio)-2-naphthamideN-[4-[2,4-bis(1,1-dimethylpropyl)fenoxy]butyl]-4-[(1-fenyl-1H-tetrazol-5-yl)sulfanyl]-1-hydroxynaftalen-2karboxamid
AKOS001600592N-(4-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyl)-1-hydroxy-4-((1-phenyl-1H-tetrazol-5-yl)thio)naphthalene-2-carboxamideN-[4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[(1-phenyl-1H-tetrazol-5-yl)thio]-2-naphthalenecarboxamideN-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamideST050338NS000446361-hydroxy-4-(1-phenyl-5-tetrazolylthio)-N-[4-(2,4-di-t-amylphenoxy)-butyl]-2-naphthamideDI-T-PENTYLPHENOXYBUTYL-1-HYDROXY-(PHENYL-TETRAZOLYLTHIO)-NAPHTH-CARBOXAMIDE,
Properties
Computed structural properties
- XLogP
- 11.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 977
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[(1-phenyl-1H-tetrazol-5-yl)thio]- (5084-12-8)
- 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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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-[(1-phenyl-1H-tetrazol-5-yl)thio]-: INACTIVE
Related reactions
3 records
Compound notes
Loading…