3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propane-1,2-diol
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3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propane-1,2-diol
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CAS No:
63991-83-3
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Formula:
C13H18O3
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Chemical Name:
3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propane-1,2-diol
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Synonyms:
63991-83-3;alpha-Tnp;BRN 3279485;3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propane-1,2-diol;3-(5,6,7,8-Tetrahydro-1-naphthyloxy)-1,2-propanediol;1,2-Propanediol, 3-(5,6,7,8-tetrahydro-1-naphthyloxy)-;4-06-00-03852 (Beilstein Handbook Reference);DTXSID00981840;3-(5,6,7,8-Tetrahydronaphthalen-1-yloxy)-1,2-propanediol;3-[(5,6,7,8-Tetrahydronaphthalen-1-yl)oxy]propane-1,2-diol
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CAS No:
3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propane-1,2-diol Basic Attributes
222.28 g/mol
222.125594432 g/mol
Toxicity
| Name | Type of Test | Exposure Route | Species Observed | Dose/Duration | Toxic Effects | Reference |
|---|---|---|---|---|---|---|
| ACUTE TOXICITY DATA | LD50 - Lethal dose, 50 percent kill | Intraperitoneal | Rodent - mouse | 338 mg/kg | Details of toxic effects not reported other than lethal dose value-- | Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 72,1545,1952 |
Computed Properties
Molecular Weight:222.28
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:222.125594432
Monoisotopic Mass:222.125594432
Topological Polar Surface Area:49.7
Heavy Atom Count:16
Complexity:207
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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