1,3-propanediol, 2-((3-chrysenylmethyl)amino)-2-methyl-, methanesulfonate (salt)
2-(chrysen-3-ylmethylamino)-2-methylpropane-1,3-diol;methanesulfonic acid
Also Known As: 2-((3-Chrysenylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate|1,3-Propanediol, 2-((3-chrysenylmethyl)amino)-2-methyl-, methanesulfonate (salt)|2-((3-Chrysenylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate (salt)|2-(chrysen-3-ylmethylamino)-2-methylpropane-1,3-diol; methanesulfonic acid|Methanesulfonic acid--2-{[(chrysen-3-yl)methyl]amino}-2-methylpropane-1,3-diol (1/1)
| Molecular Formula | C24H27NO5S |
|---|---|
| Molecular Weight | 441.16098 g/mol |
| LogP | 3.4831 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.16098 |
| Monoisotopic Mass | 441.16098 |
| Heavy Atoms | 31 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 96403-25-7 |
|---|---|
| SMILES | CC(CO)(CO)NCC1=CC2=C(C=C1)C=CC3=C2C=CC4=CC=CC=C43.CS(=O)(=O)O |
| InChIKey | VZQAJBAQOSIBNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-propanediol, 2-((3-chrysenylmethyl)amino)-2-methyl-, methanesulfonate (salt) (CAS 96403-25-7), with molecular formula C24H27NO5S and molecular weight 441.16098 g/mol. IUPAC: 2-(chrysen-3-ylmethylamino)-2-methylpropane-1,3-diol;methanesulfonic acid.
1,3-propanediol, 2-((3-chrysenylmethyl)amino)-2-methyl-, methanesulfonate (salt) is a custom synthesis product. We offer services from milligram to kilogram scale.
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