Ethyl Orange (free acid)

HCID 83571

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Basic information

CAS: 1514962-56-1
Standard SMILES: CCN(CC)c1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1
InChIKey: OORQUAGUOJMPCS-UHFFFAOYSA-N
Molecular formula: C16H19N3O3S
Average molar mass: 333.4 g/mol
Monoisotopic mass: 333.11471265

Names & identifiers

Preferred name: Ethyl Orange (free acid)
IUPAC: 4-[[4-(diethylamino)phenyl]diazenyl]benzenesulfonic acid

Names & synonyms

Ethyl Orange (free acid)NSC86646287-12-34-{[4-(diethylamino)phenyl]diazenyl}benzenesulfonic acidp'-Diethylamino-p-azobenzene sulfonic acidSCHEMBL1522087SCHEMBL1522088DTXSID50866951DTXSID101043703NSC-8664SBB008809AKOS025116694

Show more names

NS00052078ST504101314-[(E)-[4-(diethylamino)phenyl]azo]benzenesulfonic acid4-{(E)-[4-(diethylamino)phenyl]diazenyl}benzenesulfonic acid4-{[4-(Diethylamino)phenyl]diazenyl}benzene-1-sulfonic acidBenzenesulfonic acid, 4-[(E)-[4-(diethylamino)phenyl]azo]-4-(4-(DIETHYLAMINO)-PHENYLAZO)-BENZENESULFONIC ACID, SODIUM SALT1514962-56-1

Database identifiers

CAS: 1514962-56-1、6287-12-3
PubChem CID: 83571
DTXSID: DTXSID50866951
Nikkaji: J1.259.629D

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 90.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 23
Formal charge: 0
Complexity: 469

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