Basic information
- CAS
133550-90-0- Standard SMILES
CC(CO)(CO)NCc1ccc2cccc3c4cccc5cccc(c1c23)c54.Cl- InChIKey
IFCCZLQREGQWHF-UHFFFAOYSA-N- Molecular formula
- C25H24ClNO2
- Average molar mass
- 405.9 g/mol
- Monoisotopic mass
- 405.1495567
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-methyl-2-((1-perylenylmethyl)amino)-, hydrochloride
- IUPAC
- 2-methyl-2-(perylen-1-ylmethylamino)propane-1,3-diol;hydrochloride
Names & synonyms
1,3-Propanediol, 2-methyl-2-((1-perylenylmethyl)amino)-, hydrochloride2-Methyl-2-((1-perylenylmethyl)amino)-1,3-propanediol hydrochloride133550-90-0DTXSID20158178RefChem:219672DTXCID50806692-Methyl-2-{[(perylen-1-yl)methyl]amino}propane-1,3-diol--hydrogen chloride (1/1)
Database identifiers
- CAS
133550-90-0- PubChem CID
- 197296
- DTXSID
DTXSID20158178
Properties
Computed structural properties
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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