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Basic information
- CAS
133550-85-3- Standard SMILES
CC(CO)(CO)NCc1ccc2cccc3c2c1-c1ccccc1-3.Cl- InChIKey
WKOURSXBBKRVPF-UHFFFAOYSA-N- Molecular formula
- C21H22ClNO2
- Average molar mass
- 355.9 g/mol
- Monoisotopic mass
- 355.1339066
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-((1-fluoranthenylmethyl)amino)-2-methyl-, hydrochloride
- IUPAC
- 2-(fluoranthen-1-ylmethylamino)-2-methylpropane-1,3-diol;hydrochloride
Names & synonyms
1,3-Propanediol, 2-((1-fluoranthenylmethyl)amino)-2-methyl-, hydrochloride2-((1-Fluoranthenylmethyl)amino)-2-methyl-1,3-propanediol hydrochloride133550-85-3DTXSID20158173RefChem:219560DTXCID0080664CHEMBL544750SCHEMBL9466625WKOURSXBBKRVPF-UHFFFAOYSA-N2-[(1-fluorantheneylmethyl)amino]-2-methyl-1,3-propanediol hydrochloride2-{[(Fluoranthen-1-yl)methyl]amino}-2-methylpropane-1,3-diol--hydrogen chloride (1/1)
Database identifiers
- CAS
133550-85-3- PubChem CID
- 149669
- DTXSID
DTXSID20158173- ChEMBL
CHEMBL544750
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 436
Related reactions
1 records
Compound notes
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