2-(azepan-1-ium-1-ylmethyl)-1-(4-methylphenyl)butan-1-one;chloride
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2-(azepan-1-ium-1-ylmethyl)-1-(4-methylphenyl)butan-1-one;chloride
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CAS No:
111443-80-2
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Formula:
C18H28ClNO
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Chemical Name:
2-(azepan-1-ium-1-ylmethyl)-1-(4-methylphenyl)butan-1-one;chloride
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Synonyms:
TG-14;111443-80-2;2-((Hexahydro-1H-azepin-1-yl)methyl)-4'-methylbutyrophenone hydrochloride;BUTYROPHENONE, 2-((HEXAHYDRO-1H-AZEPIN-1-YL)METHYL)-4'-METHYL-, HYDROCHLORIDE
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CAS No:
2-(azepan-1-ium-1-ylmethyl)-1-(4-methylphenyl)butan-1-one;chloride Basic Attributes
309.9 g/mol
309.1859422 g/mol
Computed Properties
Molecular Weight:309.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:309.1859422
Monoisotopic Mass:309.1859422
Topological Polar Surface Area:21.5
Heavy Atom Count:21
Complexity:286
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
Guide of 2-(azepan-1-ium-1-ylmethyl)-1-(4-methylphenyl)butan-1-one;chloride
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