Basic information
- CAS
18855-06-6- Standard SMILES
CCCCC(CC)C[NH2+]C(C)C(O)c1ccccc1.[Cl-]- InChIKey
NMHWVOJCIUUZSS-UHFFFAOYSA-N- Molecular formula
- C17H30ClNO
- Average molar mass
- 299.9 g/mol
- Monoisotopic mass
- 299.2015923
Names & identifiers
- Preferred name
- Benzyl alcohol, alpha-(1-((2-ethylhexyl)amino)ethyl)-, hydrochloride
- IUPAC
- 2-ethylhexyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
Names & synonyms
BS-39alpha-(1-((2-Ethylhexyl)amino)ethyl)benzyl alcohol hydrochlorideBENZYL ALCOHOL, alpha-(1-((2-ETHYLHEXYL)AMINO)ETHYL)-, HYDROCHLORIDE18855-06-6RefChem:328586
Database identifiers
- CAS
18855-06-6- PubChem CID
- 29310
Properties
Computed structural properties
- Topological polar surface area
- 36.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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