2-propanol, 1-((alpha-methylbenzyl)oxy)-3-(isopropylamino)-, oxalate salt

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Basic information

CAS: 33213-28-4
Standard SMILES: CC(C)NCC(O)COC(C)c1ccccc1.O=C(O)C(=O)O
InChIKey: SMHQXHRKKCCGIP-UHFFFAOYSA-N
Molecular formula: C16H25NO6
Average molar mass: 327.37 g/mol
Monoisotopic mass: 327.16818752

Names & identifiers

Preferred name: 2-propanol, 1-((alpha-methylbenzyl)oxy)-3-(isopropylamino)-, oxalate salt
IUPAC: oxalic acid;1-(1-phenylethoxy)-3-(propan-2-ylamino)propan-2-ol

Names & synonyms

33213-28-41-((alpha-Methylbenzyl)oxy)-3-(isopropylamino)-2-propanol oxalate salt2-Propanol, 1-((alpha-methylbenzyl)oxy)-3-(isopropylamino)-, oxalate saltRefChem:265670DTXSID40954836Oxalic acid--1-(1-phenylethoxy)-3-[(propan-2-yl)amino]propan-2-ol (1/1)

Database identifiers

CAS: 33213-28-4
PubChem CID: 214461
DTXSID: DTXSID40954836

Properties

Computed structural properties

Topological polar surface area: 116 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 262

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Compound notes

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