1,4-Dioxa-8-azaspiro(4,5)decane, 6-methyl-8-(1-phenylcyclohexyl)-, hydrobromide

HCID 58201

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Basic information

CAS: 101198-13-4
Standard SMILES: CC1C[NH+](C2(c3ccccc3)CCCCC2)CCC12OCCO2.[Br-]
InChIKey: XCLWAUJXYNBRGM-UHFFFAOYSA-N
Molecular formula: C20H30BrNO2
Average molar mass: 396.4 g/mol
Monoisotopic mass: 395.14599

Names & identifiers

Preferred name: 1,4-Dioxa-8-azaspiro(4,5)decane, 6-methyl-8-(1-phenylcyclohexyl)-, hydrobromide
IUPAC: 6-methyl-8-(1-phenylcyclohexyl)-1,4-dioxa-8-azoniaspiro[4.5]decane bromide

Names & synonyms

1,4-Dioxa-6-methyl-8-aza-8-(1-phenylcyclohexyl)spiro(4,5)decane hydrobromide101198-13-46-Methyl-8-(1-phenylcyclohexyl)-1,4-dioxa-8-azaspiro(4,5)decane hydrobromide1,4-DIOXA-8-AZASPIRO(4,5)DECANE, 6-METHYL-8-(1-PHENYLCYCLOHEXYL)-, HYDROBROMIDERefChem:220717

Database identifiers

CAS: 101198-13-4
PubChem CID: 58201

Properties

Computed structural properties

Topological polar surface area: 22.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 24
Formal charge: 0
Complexity: 392

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