Benzhydrol, alpha-(2-(ethylphenethylamino)-1-methylethyl)-, oxalate (1:1)
Basic information
- CAS
4119-01-1- Standard SMILES
CCN(CCc1ccccc1)CC(C)C(O)(c1ccccc1)c1ccccc1.O=C(O)C(=O)O- InChIKey
LNCPOQUOOGYXTR-UHFFFAOYSA-N- Molecular formula
- C28H33NO5
- Average molar mass
- 463.6 g/mol
- Monoisotopic mass
- 463.23587315
Names & identifiers
- Preferred name
- Benzhydrol, alpha-(2-(ethylphenethylamino)-1-methylethyl)-, oxalate (1:1)
- IUPAC
- 3-[ethyl(2-phenylethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol;oxalic acid
Names & synonyms
alpha-(2-(Ethylphenethylamino)-1-methylethyl)benzhydrol oxalate4119-01-11-Propanol, 1,1-diphenyl-3-ethylphenethylamino-2-methyl-, oxalateBenzhydrol, alpha-(2-(ethylphenethylamino)-1-methylethyl)-, oxalate (1:1)RefChem:325714DTXSID80961488Oxalic acid--3-[ethyl(2-phenylethyl)amino]-2-methyl-1,1-diphenylpropan-1-ol (1/1)
Database identifiers
- CAS
4119-01-1- PubChem CID
- 199392
- DTXSID
DTXSID80961488
Properties
Computed structural properties
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 472
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Compound notes
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