[2-(2-azaniumyl-2-carboxyethyl)phenyl]methyl-bis(2-chloroethyl)azanium;dichloride
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![[2-(2-azaniumyl-2-carboxyethyl)phenyl]methyl-bis(2-chloroethyl)azanium;dichloride structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/85317eefcc934320b9001895ccb3868c.png "[2-(2-azaniumyl-2-carboxyethyl)phenyl]methyl-bis(2-chloroethyl)azanium;dichloride")
[2-(2-azaniumyl-2-carboxyethyl)phenyl]methyl-bis(2-chloroethyl)azanium;dichloride
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CAS No:
2185-98-0
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Formula:
C14H22Cl4N2O2
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Chemical Name:
[2-(2-azaniumyl-2-carboxyethyl)phenyl]methyl-bis(2-chloroethyl)azanium;dichloride
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Synonyms:
2185-98-0;Ocaphane Hydrochloride;AT 581;o-Bis(2-chloroethyl)aminomethylphenylalanine hydrochloride;3-(o-((Bis(2-chloroethyl)amino)methyl)phenyl)alanine dihydrochloride;ALANINE, 3-(o-((BIS(2-CHLOROETHYL)AMINO)METHYL)PHENYL)-, DIHYDROCHLORIDE;Phenylalanine, 2-((bis(2-chloroethyl)amino)methyl)-, dihydrochloride (9CI);Alanine, 3-(alpha-(bis(2-chloroethyl)amino)-o-tolyl)-, dihydrochloride (8CI)
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CAS No:
[2-(2-azaniumyl-2-carboxyethyl)phenyl]methyl-bis(2-chloroethyl)azanium;dichloride Basic Attributes
392.1 g/mol
392.040589 g/mol
Computed Properties
Molecular Weight:392.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:392.040589
Monoisotopic Mass:390.043539
Topological Polar Surface Area:69.4
Heavy Atom Count:22
Complexity:286
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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