5-Isobenzofurancarbonitrile, 1-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-, hydrobromide (1:1)
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![5-Isobenzofurancarbonitrile, 1-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-, hydrobromide (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b9ca9ec2f0cb467ea8183b7739b9a641.png "5-Isobenzofurancarbonitrile, 1-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-, hydrobromide (1:1)")
5-Isobenzofurancarbonitrile, 1-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-, hydrobromide (1:1)
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CAS No:
64169-58-0
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Formula:
C20H21ClN2O.BrH
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Chemical Name:
5-Isobenzofurancarbonitrile, 1-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-, hydrobromide (1:1)
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Synonyms:
5-Isobenzofurancarbonitrile,1-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-,hydrobromide (1:1);5-Isobenzofurancarbonitrile,1-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-,monohydrobromide
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CAS No:
5-Isobenzofurancarbonitrile, 1-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-, hydrobromide (1:1) Basic Attributes
421.75848
420.06000
DTXSID80494822
Characteristics
36.3
5.28538
148-150 °C @ Solvent: Isopropanol
Hygroscopic, -20°C Freezer, Under Inert Atmosphere
5-Isobenzofurancarbonitrile, 1-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-, hydrobromide (1:1) Use and Manufacturing
An internal standard of Citalopram, an inhibitor of serotonin (5-HT) uptake.
Computed Properties
Molecular Weight:421.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:420.06040
Monoisotopic Mass:420.06040
Topological Polar Surface Area:36.3
Heavy Atom Count:25
Complexity:466
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
5-Isobenzofurancarbonitrile, 1-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-, hydrobromide (1:1)
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