Basic information
- CAS
4119-02-2- Standard SMILES
CC(CN(C)CCc1ccccc1)C(O)(Cc1ccccc1)Cc1ccccc1.O=C(O)C(=O)O- InChIKey
RGIXIHSELFDBBY-UHFFFAOYSA-N- Molecular formula
- C29H35NO5
- Average molar mass
- 477.6 g/mol
- Monoisotopic mass
- 477.25152322
Names & identifiers
- Preferred name
- Phenethyl alcohol, alpha-benzyl-alpha-(1-methyl-2-(methylphenethylamino)ethyl)-, oxalate
- IUPAC
- 2-benzyl-3-methyl-4-[methyl(2-phenylethyl)amino]-1-phenylbutan-2-ol;oxalic acid
Names & synonyms
alpha-Benzyl-alpha-(1-methyl-2-(methylphenethylamino)ethyl)phenethyl alcohol oxalate4119-02-2Phenethyl alcohol, alpha-benzyl-alpha-(1-methyl-2-(methylphenethylamino)ethyl)-, oxalateRefChem:368641DTXSID40961489Oxalic acid--2-benzyl-3-methyl-4-[methyl(2-phenylethyl)amino]-1-phenylbutan-2-ol (1/1)
Database identifiers
- CAS
4119-02-2- PubChem CID
- 199394
- DTXSID
DTXSID40961489
Properties
Computed structural properties
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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