Basic information
- CAS
96403-65-5- Standard SMILES
CC(CO)(CO)NCc1ccc2cc3ccccc3cc2c1.Cl- InChIKey
ZFRXGGKOZFPCEY-UHFFFAOYSA-N- Molecular formula
- C19H22ClNO2
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.1339066
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-((2-anthracenylmethyl)amino)-2-methyl-, hydrochloride, hydrate (2:2:1)
- IUPAC
- 2-(anthracen-2-ylmethylamino)-2-methylpropane-1,3-diol;hydrochloride
Names & synonyms
1,3-Propanediol, 2-((2-anthracenylmethyl)amino)-2-methyl-, hydrochloride, hydrate (2:2:1)2-((2-Anthracenylmethyl)amino)-2-methyl-1,3-propanediol hydrochloride hydrate (2:2:1)96403-65-5DTXSID902422352-((2-Anthracenylmethyl)amino)-2-methyl-1,3-propanediol hydrochlorideRefChem:219564DTXCID90164726CHEMBL5445152-{[(Anthracen-2-yl)methyl]amino}-2-methylpropane-1,3-diol--hydrogen chloride (1/1)
Database identifiers
- CAS
96403-65-5- PubChem CID
- 175678
- DTXSID
DTXSID90242235- ChEMBL
CHEMBL544515
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
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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