Basic information
- CAS
4059-22-7- Standard SMILES
CC(CN1CC=C(c2ccccc2)CC1)C(O)(c1ccccc1)c1ccccc1.O=C(O)C(=O)O- InChIKey
KUQBYSRWVPUVAT-UHFFFAOYSA-N- Molecular formula
- C29H31NO5
- Average molar mass
- 473.6 g/mol
- Monoisotopic mass
- 473.22022309
Names & identifiers
- Preferred name
- 1(2H)-Pyridinepropanol, 3,6-dihydro-beta-methyl-alpha,alpha,4-triphenyl-, oxalate, hydrate
- IUPAC
- 2-methyl-1,1-diphenyl-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol;oxalic acid
Names & synonyms
4059-22-71(2H)-Pyridinepropanol, 3,6-dihydro-beta-methyl-alpha,alpha,4-triphenyl-, oxalate, hydrateRefChem:10514313,6-Dihydro-beta-methyl-alpha,alpha,4-triphenyl-1(2H)-pyridinepropanol oxalate hydrateDTXSID00960993Oxalic acid--2-methyl-1,1-diphenyl-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propan-1-ol (1/1)
Database identifiers
- CAS
4059-22-7- PubChem CID
- 199348
- DTXSID
DTXSID00960993
Properties
Computed structural properties
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 576
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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