4-(Dimethylamino)-1-phenyl-3,4-dihydronaphthalene-2-sulfonic acid

HCID 40331

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Basic information

CAS: 52371-28-5
Standard SMILES: CN(C)C1CC(S(=O)(=O)O)=C(c2ccccc2)c2ccccc21
InChIKey: JJVUBVYJJVCKSL-UHFFFAOYSA-N
Molecular formula: C18H19NO3S
Average molar mass: 329.4 g/mol
Monoisotopic mass: 329.10856464

Names & identifiers

Preferred name: 4-(Dimethylamino)-1-phenyl-3,4-dihydronaphthalene-2-sulfonic acid
IUPAC: 4-(dimethylamino)-1-phenyl-3,4-dihydronaphthalene-2-sulfonic acid
English name: 1,2-Dihydro-1-dimethylamino-4-phenyl-3-naphthalenesulfonic acid
Molecular formula: C18H19NO3S
Molecular weight: 329.41

Names & synonyms

52371-28-54-(dimethylamino)-1-phenyl-3,4-dihydronaphthalene-2-sulfonic acidDTXSID20966755RefChem:1070092DTXCID901394376BRN 27674171,2-Dihydro-1-dimethylamino-4-phenylnaphthalene-3-sulfonic acid3-NAPHTHALENESULFONIC ACID, 1,2-DIHYDRO-1-(DIMETHYLAMINO)-4-PHENYL-1,2-Dihydro-1-dimethylamino-4-phenyl-3-naphthalenesulfonic acid2-Naphthalenesulfonic acid, 4-(dimethylamino)-3,4-dihydro-1-phenyl-

Database identifiers

CAS: 52371-28-5
PubChem CID: 40331
DTXSID: DTXSID20966755
Nikkaji: J68.224A

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 66 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 555

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