Phenol, 4-(2-((3-(2-chloro-4-(2-methoxyethyl)phenoxy)-2-hydroxypropyl)amino)propyl)-, hydrochloride
Basic information
- CAS
74027-40-0- Standard SMILES
COCCc1ccc(OCC(O)CNC(C)Cc2ccc(O)cc2)c(Cl)c1.Cl- InChIKey
JQZBYIINVVHSKI-UHFFFAOYSA-N- Molecular formula
- C21H29Cl2NO4
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 429.1473638
Names & identifiers
- Preferred name
- Phenol, 4-(2-((3-(2-chloro-4-(2-methoxyethyl)phenoxy)-2-hydroxypropyl)amino)propyl)-, hydrochloride
- IUPAC
- 4-[2-[[3-[2-chloro-4-(2-methoxyethyl)phenoxy]-2-hydroxypropyl]amino]propyl]phenol;hydrochloride
Names & synonyms
74027-40-0Phenol, 4-(2-((3-(2-chloro-4-(2-methoxyethyl)phenoxy)-2-hydroxypropyl)amino)propyl)-, hydrochlorideRefChem:369230DTXSID109953374-[2-({3-[2-Chloro-4-(2-methoxyethyl)phenoxy]-2-hydroxypropyl}amino)propyl]phenol--hydrogen chloride (1/1)
Database identifiers
- CAS
74027-40-0- PubChem CID
- 3057308
- DTXSID
DTXSID10995337
Properties
Computed structural properties
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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