1,2-Propanediol, 3-[(1-methylethyl)amino]-, 1-(4-methylbenzenesulfonate)
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![1,2-Propanediol, 3-[(1-methylethyl)amino]-, 1-(4-methylbenzenesulfonate) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3cdcde7ba42e45cdb1325e41a2a57706.png "1,2-Propanediol, 3-[(1-methylethyl)amino]-, 1-(4-methylbenzenesulfonate)")
1,2-Propanediol, 3-[(1-methylethyl)amino]-, 1-(4-methylbenzenesulfonate)
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CAS No:
79881-85-9
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Formula:
C13H21NO4S
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Chemical Name:
1,2-Propanediol, 3-[(1-methylethyl)amino]-, 1-(4-methylbenzenesulfonate)
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Synonyms:
1,2-Propanediol,3-[(1-methylethyl)amino]-,1-(4-methylbenzenesulfonate)
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CAS No:
1,2-Propanediol, 3-[(1-methylethyl)amino]-, 1-(4-methylbenzenesulfonate) Basic Attributes
287.37500
287.38
279-332-5
Computed Properties
Molecular Weight:287.38
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:287.11912932
Monoisotopic Mass:287.11912932
Topological Polar Surface Area:84
Heavy Atom Count:19
Complexity:342
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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