2-propanol, 1-((alpha-benzylphenethyl)oxy)-3-(dibutylamino)-, oxalate salt

HCID 215166

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Basic information

CAS: 35132-80-0
Standard SMILES: CCCCN(CCCC)CC(O)COC(Cc1ccccc1)Cc1ccccc1.O=C(O)C(=O)O
InChIKey: LDPZVXDWPOLRRT-UHFFFAOYSA-N
Molecular formula: C28H41NO6
Average molar mass: 487.6 g/mol
Monoisotopic mass: 487.29338803

Names & identifiers

Preferred name: 2-propanol, 1-((alpha-benzylphenethyl)oxy)-3-(dibutylamino)-, oxalate salt
IUPAC: 1-(dibutylamino)-3-(1,3-diphenylpropan-2-yloxy)propan-2-ol;oxalic acid

Names & synonyms

1-((alpha-Benzylphenethyl)oxy)-3-(dibutylamino)-2-propanol oxalate salt35132-80-02-Propanol, 1-((alpha-benzylphenethyl)oxy)-3-(dibutylamino)-, oxalate saltRefChem:265663DTXSID20956570Oxalic acid--1-(dibutylamino)-3-[(1,3-diphenylpropan-2-yl)oxy]propan-2-ol (1/1)

Database identifiers

CAS: 35132-80-0
PubChem CID: 215166
DTXSID: DTXSID20956570

Properties

Computed structural properties

Topological polar surface area: 107 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 16
Heavy atoms: 35
Formal charge: 0
Complexity: 420

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