Basic information
- CAS
72906-37-7- Standard SMILES
COS(=O)(=O)[O-].Cc1ccc(Nc2ccc3c4c2C(=O)c2ccccc2-c4c2cc(C)ccc2[n+]3C)cc1- InChIKey
WNIMWYLNYNFEFO-UHFFFAOYSA-N- Molecular formula
- C30H26N2O5S
- Average molar mass
- 526.6 g/mol
- Monoisotopic mass
- 526.15624311
Names & identifiers
- Preferred name
- 9H-Naphth[3,2,1-kl]acridinium, 2,5-dimethyl-8-[(4-methylphenyl)amino]-9-oxo-, methyl sulfate (1:1)
- IUPAC
- 4,8-dimethyl-12-(4-methylanilino)-8-azoniapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-14-one;methyl sulfate
- English name
- 2,5-dimethyl-8-[(4-methylphenyl)amino]-9-oxo-9H-naphth[3,2,1-kl]acridinium methyl sulphate
- Molecular formula
- C30H26N2O5S
- Molecular weight
- 526.60284
Names & synonyms
72906-37-7EINECS 276-999-49H-Naphth[3,2,1-kl]acridinium, 2,5-dimethyl-8-[(4-methylphenyl)amino]-9-oxo-, methyl sulfate (1:1)DTXSID508882949H-Naphth(3,2,1-kl)acridinium, 2,5-dimethyl-8-((4-methylphenyl)amino)-9-oxo-, methyl sulfate9H-Naphth(3,2,1-kl)acridinium, 2,5-dimethyl-8-((4-methylphenyl)amino)-9-oxo-, methyl sulfate (1:1)9H-Naphth[3,2,1-kl]acridinium, 2,5-dimethyl-8-[(4-methylphenyl)amino]-9-oxo-, methyl sulfateRefChem:108255DTXCID0010275742,5-Dimethyl-8-((4-methylphenyl)amino)-9-oxo-9H-naphth(3,2,1-kl)acridinium methyl sulphateNS000611612,5-Dimethyl-8-(4-methylanilino)-9-oxo-9H-naphtho[3,2,1-kl]acridin-5-ium methyl sulfate
Show more names
2,5-dimethyl-8-[(4-methylphenyl)amino]-9-oxo-9H-naphth[3,2,1-kl]acridinium methyl sulphate
Properties
Computed structural properties
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 790
Physicochemical properties
- EPA Substance Registry System
- 9 H-Naphth[3,2,1-kl]acridinium, · 9H-Naphth[3,2,1-kl]acridinium, 2,5-dimethyl-8-[(4-methylphenyl)amino]-9-oxo-, methyl sulfate (72906-37-7)
- 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 Information9H-Naphth[3,2,1-kl]acridinium, 2,5-dimethyl-8-[(4-methylphenyl)amino]-9-oxo-, methyl sulfate (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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