Methanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, benzoate (1:1)
Basic information
- CAS
68527-61-7- Standard SMILES
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1.O=C([O-])c1ccccc1- InChIKey
XXDIMAOKYNRIQM-UHFFFAOYSA-M- Molecular formula
- C30H30N2O2
- Average molar mass
- 450.6 g/mol
- Monoisotopic mass
- 450.2307282
Names & identifiers
- Preferred name
- Methanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, benzoate (1:1)
- IUPAC
- [4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium benzoate
- English name
- [4-[alpha-[4-(dimethylamino)phenyl]benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium benzoate
- Molecular formula
- C37H39N3O4
- Molecular weight
- 589.72326
Names & synonyms
68527-61-7EINECS 271-270-7DTXSID7071604Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, benzoateMethanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, benzoateMethanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, benzoate (1:1)Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, benzoate (1:1)RefChem:156891DTXCID9046073SCHEMBL2519297XXDIMAOKYNRIQM-UHFFFAOYSA-MNS00091342
Show more names
[4-[alpha-[4-(dimethylamino)phenyl]benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium benzoate
(4-(alpha-(4-(Dimethylamino)phenyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium benzoate4-{[4-(Dimethylamino)phenyl](phenyl)methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium benzoate
Properties
Computed structural properties
- Topological polar surface area
- 46.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 614
Physicochemical properties
- EPA Substance Registry System
- 4 · Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, benzoate (68527-61-7)
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 361 · H361-H410-H302-H318-H400
- Precautionary statements
- 273 · P273-P391-P501-P280-P305+P351+P338-P310-P273-P391-P501-P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501
- 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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS05,GHS09
- Hazard statements
- H361-H410-H302-H318-H400
- Precautionary statements
- P273-P391-P501-P280-P305+P351+P338-P310-P273-P391-P501-P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, benzoate (1:1): INACTIVE
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…