Basic information
- CAS
23410-76-6- Standard SMILES
CC(CN1CC(C)OC(C)C1)CN(c1ccncc1)c1cccc(Cl)c1.O=C(O)c1ccccc1O- InChIKey
LDFVITSNNVKAPR-UHFFFAOYSA-N- Molecular formula
- C28H34ClN3O4
- Average molar mass
- 512 g/mol
- Monoisotopic mass
- 511.2237843
Names & identifiers
- Preferred name
- 4-Morpholinepropanamine, N-(3-chlorophenyl)-N-4-pyridinyl-beta,2,6-trimethyl-, mono(2-hydroxybenzoate)
- IUPAC
- N-(3-chlorophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridin-4-amine;2-hydroxybenzoic acid
Names & synonyms
23410-76-64-Morpholinepropanamine, N-(3-chlorophenyl)-N-4-pyridinyl-beta,2,6-trimethyl-, mono(2-hydroxybenzoate)RefChem:294919DTXSID009460702-Hydroxybenzoic acid--N-(3-chlorophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridin-4-amine (1/1)
Database identifiers
- CAS
23410-76-6- PubChem CID
- 211581
- DTXSID
DTXSID00946070
Properties
Computed structural properties
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 541
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…