1,3-propanediol, 2-((benz(a)anthracen-7-ylmethyl)amino)-2-methyl-, methanesulfonate (salt)
Basic information
- CAS
104500-07-4- Standard SMILES
CC(CO)(CO)NCc1c2ccccc2cc2c1ccc1ccccc12.CS(=O)(=O)O- InChIKey
ILCSXLQSNFIULT-UHFFFAOYSA-N- Molecular formula
- C24H27NO5S
- Average molar mass
- 441.5 g/mol
- Monoisotopic mass
- 441.16099414
Names & identifiers
- Preferred name
- 1,3-propanediol, 2-((benz(a)anthracen-7-ylmethyl)amino)-2-methyl-, methanesulfonate (salt)
- IUPAC
- 2-(benzo[a]anthracen-7-ylmethylamino)-2-methylpropane-1,3-diol;methanesulfonic acid
Names & synonyms
104500-07-42-((Benz(a)anthracen-7-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate1,3-Propanediol, 2-((benz(a)anthracen-7-ylmethyl)amino)-2-methyl-, methanesulfonate (salt)2-((Benz(a)anthracen-7-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate (salt)DTXSID00146513RefChem:219584DTXCID4069004SCHEMBL10484379Methanesulfonic acid--2-methyl-2-{[(tetraphen-7-yl)methyl]amino}propane-1,3-diol (1/1)
Database identifiers
- CAS
104500-07-4- PubChem CID
- 149305
- DTXSID
DTXSID00146513
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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