Basic information
- CAS
22820-52-6- Standard SMILES
CC(C)NCC(O)Cc1ccccc1.Cl- InChIKey
XLUDCOFQMMPCGS-UHFFFAOYSA-N- Molecular formula
- C12H20ClNO
- Average molar mass
- 229.74 g/mol
- Monoisotopic mass
- 229.123342
Names & identifiers
- Preferred name
- Phenethyl alcohol, alpha-((isopropylamino)methyl)-, hydrochloride
- IUPAC
- 1-phenyl-3-(propan-2-ylamino)propan-2-ol;hydrochloride
Names & synonyms
22820-52-6alpha-((Isopropylamino)methyl)phenethyl alcohol hydrochlorideN-(3-Phenyl-2-hydroxypropyl)isopropylamine hydrochloridePhenethyl alcohol, alpha-((isopropylamino)methyl)-, hydrochlorideRefChem:3686391-phenyl-3-(propan-2-ylamino)propan-2-ol;hydrochlorideDTXSID109455141-(isopropylamino)-3-phenyl-2-propanol hydrochloride1-Phenyl-3-[(propan-2-yl)amino]propan-2-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
22820-52-6- PubChem CID
- 211301
- DTXSID
DTXSID10945514
Properties
Computed structural properties
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 141
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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