Basic information
- CAS
93160-75-9- Standard SMILES
CCC(C)(C)c1ccc(O)c(CN(CCO)CCO)c1.Cl- InChIKey
XXPAYOGNNVCYDN-UHFFFAOYSA-N- Molecular formula
- C16H28ClNO3
- Average molar mass
- 317.8 g/mol
- Monoisotopic mass
- 317.1757714
Names & identifiers
- Preferred name
- CID 54599554
- IUPAC
- 2-[[bis(2-hydroxyethyl)amino]methyl]-4-(2-methylbutan-2-yl)phenol;hydrochloride
Names & synonyms
93160-75-9DTXSID40712791NSC79692NSC-796922-[[bis(2-hydroxyethyl)amino]methyl]-4-(2-methylbutan-2-yl)phenol;hydrochloride2-{[Bis(2-hydroxyethyl)amino]methyl}-4-(2-methylbutan-2-yl)phenol--hydrogen chloride (1/1)
Database identifiers
- CAS
93160-75-9- PubChem CID
- 54599554
- DTXSID
DTXSID40712791
Properties
Computed structural properties
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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