8-(Methylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol--hydrogen iodide (1/1)

HCID 44701

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Basic information

CAS: 63766-01-8
Standard SMILES: C[NH2+]C1CCCc2ccc(O)c(O)c21.[I-]
InChIKey: QUBAXZANXSDANM-UHFFFAOYSA-N
Molecular formula: C11H16INO2
Average molar mass: 321.15 g/mol
Monoisotopic mass: 321.02258

Names & identifiers

Preferred name: 8-(Methylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol--hydrogen iodide (1/1)
IUPAC: (7,8-dihydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-methylazanium iodide

Names & synonyms

63766-01-8DTXSID809803168-(Methylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol--hydrogen iodide (1/1)RefChem:1074640DTXCID4014075947,8-Naphthalenediol, 1-(methylamino)-1,2,3,4-tetrahydro-, hydroiodide1-Naphthylamine, 1,2,3,4-tetrahydro-7,8-dihydroxy-N-methyl-, hydroiodide7,8-NAPHTHALENEDIOL, 1,2,3,4-TETRAHYDRO-1-(METHYLAMINO)-, HYDRIODIDE

Database identifiers

CAS: 63766-01-8
PubChem CID: 44701

Properties

Computed structural properties

Topological polar surface area: 57.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 198

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