Basic information
- CAS
104500-10-9- Standard SMILES
CC(CO)(CO)NCc1c2ccccc2cc2cc3ccccc3cc12.CS(=O)(=O)O- InChIKey
RCIUYGSIQWIQHP-UHFFFAOYSA-N- Molecular formula
- C24H27NO5S
- Average molar mass
- 441.5 g/mol
- Monoisotopic mass
- 441.16099396
Names & identifiers
- Preferred name
- 1,3-propanediol, 2-methyl-2-((5-naphthacenylmethyl)amino)-, methanesulfonate (salt)
- IUPAC
- methanesulfonic acid;2-methyl-2-(tetracen-5-ylmethylamino)propane-1,3-diol
- English name
- 1,3-Propanediol, 2-methyl-2-((5-naphthacenylmethyl)amino)-, methanesul fonate (salt)
- Molecular weight
- 0
Names & synonyms
104500-10-92-Methyl-2-((5-naphthacenylmethyl)amino)-1,3-propanediol methanesulfonate2-Methyl-2-((5-naphthacenylmethyl)amino)-1,3-propanediol methanesulfonate (salt)1,3-Propanediol, 2-methyl-2-((5-naphthacenylmethyl)amino)-, methanesulfonate (salt)DTXSID60146514RefChem:219684DTXCID9069005SCHEMBL10348690methanesulfonic acid;2-methyl-2-(tetracen-5-ylmethylamino)propane-1,3-diol1,3-Propanediol, 2-methyl-2-((5-naphthacenylmethyl)amino)-, methanesul fonate (salt)Methanesulfonic acid--2-methyl-2-{[(tetracen-5-yl)methyl]amino}propane-1,3-diol (1/1)
Database identifiers
- CAS
104500-10-9- PubChem CID
- 149309
- DTXSID
DTXSID60146514
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 556
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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