2-(((4-methoxyphenyl)methylhydrazono)methyl)-1,3,3-trimethyl-3H-indolium dihydrogen phosphate
Basic information
- CAS
70398-33-3- Standard SMILES
COc1ccc(CNN=CC2=[N+](C)c3ccccc3C2(C)C)cc1.O=P([O-])(O)O- InChIKey
RMKBLFYEVKUBSH-UHFFFAOYSA-N- Molecular formula
- C20H24N3O.H2O4P
- Average molar mass
- 419.4 g/mol
- Monoisotopic mass
- 419.16100794
Names & identifiers
- Preferred name
- 2-(((4-methoxyphenyl)methylhydrazono)methyl)-1,3,3-trimethyl-3H-indolium dihydrogen phosphate
- IUPAC
- dihydrogen phosphate;1-(4-methoxyphenyl)-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine
Names & synonyms
70398-33-3EINECS 274-593-12-(((4-Methoxyphenyl)methylhydrazono)methyl)-1,3,3-trimethyl-3H-indolium dihydrogen phosphateDTXSID002206652-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium dihydrogen phosphateRefChem:83623DTXCID30143156274-593-12-({2-[(4-Methoxyphenyl)methyl]hydrazinylidene}methyl)-1,3,3-trimethyl-3H-indol-1-ium dihydrogen phosphate
Database identifiers
- CAS
70398-33-3- PubChem CID
- 44147348
- DTXSID
DTXSID00220665- EC Number
- 274-593-1
Properties
Computed structural properties
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 539
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P316, P305+P354+P338, P317, P321, 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
Regulatory InformationChemical: 3H-Indolium, 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-, phosphate (1:1)
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 3 (100%)
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Compound notes
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