Ethanaminium, N-(4-((4-(diethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, acetate (1:1)
Basic information
- CAS
76994-37-1- Standard SMILES
CC(=O)[O-].CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccccc2)cc1- InChIKey
ZACIFCVOARIOBT-UHFFFAOYSA-M- Molecular formula
- C27H33N2.C2H3O2
- Average molar mass
- 444.6 g/mol
- Monoisotopic mass
- 444.2776784
Names & identifiers
- Preferred name
- Ethanaminium, N-(4-((4-(diethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, acetate (1:1)
- IUPAC
- [4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium acetate
- English name
- [4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]diethylammonium acetate
- Molecular formula
- C31H43N3O4
- Molecular weight
- 521.69082
Names & synonyms
76994-37-1EINECS 278-585-9DTXSID6072845(4-((4-(Diethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)diethylammonium acetateEthanaminium, N-(4-((4-(diethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, acetate (1:1)N-(4-((4-(Diethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene-N-ethylethanaminium, acetate[4-[[4-(Diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]diethylammonium acetateEthanaminium, N-[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, acetate (1:1)RefChem:138116DTXCID2047931278-585-9Ethanaminium, N-[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, acetate
Show more names
Brilliant Green LiquidC.I. Basic Green 4 acetateEthanaminium, N-4-4-(diethylamino)phenylphenylmethylene-2,5-cyclohexadien-1-ylidene-N-ethyl-, acetateN-(4-{[4-(diethylamino)phenyl](phenyl)methylidene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium acetate
Properties
Computed structural properties
- Topological polar surface area
- 46.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 592
Physicochemical properties
- Boiling point
- 126.3 ℃[at · 126.3℃[at 101 325 Pa]
- Density
- 1.11 · 1.11[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 25℃
- Viscosity
- 33.345 mm2/s · 33.345mm2/s
- Water Solubility
- 100 g/L · 100g/L at 25℃
- LogP
- 3.757 at · 3.757 at 25℃
- EPA Substance Registry System
- 4 · Ethanaminium, N-[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, acetate (76994-37-1)
- Symbol(GHS)
- 2 · GHS02,GHS09,GHS05,GHS06
- Signal word
- Warning
- Hazard statements
- 410 · H410-H317-H301-H226-H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-P501
- RIDADR
- 3077 · 3077
- TSCA
- TSCA listed
- HazardClass
- 9 · 9
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
This chemical does not meet GHS hazard criteria for 7.1% (12 of 168) of reports.
Danger
H226 (66.1%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P333+P317, P337+P317, P362+P364, P363, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 168 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Ethanaminium, N-[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-,acetate
REACH registered substance: [4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]diethylammonium acetate (EC: 278-585-9)
Ethanaminium, N-4-4-(diethylamino)phenylphenylmethylene-2,5-cyclohexadien-1-ylidene-N-ethyl-, acetate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesFlam. Liq. 3 (66.1%)
Safety data
- tsca
- TSCA listed
- ridadr
- 3077
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS09,GHS05,GHS06
- hazard_class
- 9
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanaminium, N-[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, acetate (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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