Basic information
- CAS
96538-95-3- Standard SMILES
CC(CO)C(O)NCc1c2ccccc2cc2ccccc12.Cl- InChIKey
YPXKFXNSOCPMAL-UHFFFAOYSA-N- Molecular formula
- C19H22ClNO2
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.1339066
Names & identifiers
- Preferred name
- 1,3-Propanediol, ((9-anthracenylmethyl)amino)-2-methyl-, hydrochloride
- IUPAC
- 1-(anthracen-9-ylmethylamino)-2-methylpropane-1,3-diol;hydrochloride
Names & synonyms
((9-Anthracenylmethyl)amino)-2-methyl-1,3-propanediol hydrochloride96538-95-31,3-Propanediol, ((9-anthracenylmethyl)amino)-2-methyl-, hydrochlorideRefChem:219535DTXSID009144711-{[(Anthracen-9-yl)methyl]amino}-2-methylpropane-1,3-diol--hydrogen chloride (1/1)
Database identifiers
- CAS
96538-95-3- PubChem CID
- 150424
- DTXSID
DTXSID00914471
Properties
Computed structural properties
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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