Basic information
- CAS
104500-13-2- Standard SMILES
CC(CO)(CO)NCc1c2c(cc3ccccc13)Cc1ccccc1-2.CS(=O)(=O)O- InChIKey
MDVQTMDPTGPRRL-UHFFFAOYSA-N- Molecular formula
- C23H27NO5S
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.16099414
Names & identifiers
- Preferred name
- 1,3-propanediol, 2-((11h-benzo(b)fluoren-5-ylmethyl)amino)-2-methyl-, methanesulfonate (salt)
- IUPAC
- 2-(11H-benzo[b]fluoren-5-ylmethylamino)-2-methylpropane-1,3-diol;methanesulfonic acid
- English name
- 1,3-Propanediol, 2-((11H-benzo(b)fluoren-5-ylmethyl)amino)-2-methyl-, methanesulfonate (salt)
- Molecular weight
- 0
Names & synonyms
104500-13-21,3-Propanediol, 2-((11H-benzo(b)fluoren-5-ylmethyl)amino)-2-methyl-, methanesulfonate (salt)2-((11H-Benzo(b)fluoren-5-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate (salt)DTXSID201465152-((11H-Benzo(b)fluoren-5-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonateRefChem:219561DTXCID4069006SCHEMBL103494502-(11H-benzo[b]fluoren-5-ylmethylamino)-2-methylpropane-1,3-diol;methanesulfonic acid1,3-Propanediol, 2-((11H-benzo(b)fluoren-5-ylmethyl)amino)-2-methyl-, methanesulfonate (salt)Methanesulfonic acid--2-{[(11H-benzo[b]fluoren-5-yl)methyl]amino}-2-methylpropane-1,3-diol (1/1)
Database identifiers
- CAS
104500-13-2- PubChem CID
- 149307
- DTXSID
DTXSID20146515
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 542
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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