2-(chrysen-3-ylmethylamino)-2-methylpropane-1,3-diol;methanesulfonic acid
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2-(chrysen-3-ylmethylamino)-2-methylpropane-1,3-diol;methanesulfonic acid
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CAS No:
96403-25-7
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Formula:
C24H27NO5S
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Chemical Name:
2-(chrysen-3-ylmethylamino)-2-methylpropane-1,3-diol;methanesulfonic acid
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Synonyms:
1,3-Propanediol, 2-((3-chrysenylmethyl)amino)-2-methyl-, methanesulfonate (salt);96403-25-7;2-((3-Chrysenylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate (salt);SCHEMBL10484143;DTXSID60242227
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CAS No:
2-(chrysen-3-ylmethylamino)-2-methylpropane-1,3-diol;methanesulfonic acid Basic Attributes
441.5 g/mol
441.16099414 g/mol
DTXSID60242227
Toxicity
| Name | Type of Test | Exposure Route | Species Observed | Dose/Duration | Toxic Effects | Reference |
|---|---|---|---|---|---|---|
| ACUTE TOXICITY DATA | LD20 - Lethal Dose | Unreported | Mammal - species unspecified | 110 mg/kg | Details of toxic effects not reported other than lethal dose value-- | Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 34,1983,1991 |
Computed Properties
Molecular Weight:441.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:441.16099414
Monoisotopic Mass:441.16099414
Topological Polar Surface Area:115
Heavy Atom Count:31
Complexity:556
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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