3-[4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl]-2-aminopropionic acid
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![3-[4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl]-2-aminopropionic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c348997dc64744b4a5c041bd5408e8c6.png "3-[4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl]-2-aminopropionic acid")
3-[4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl]-2-aminopropionic acid
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CAS No:
66902-62-3
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Formula:
C14H20Cl2N2O3
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Chemical Name:
3-[4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl]-2-aminopropionic acid
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Synonyms:
p-Bis(2-chloroethyl)amino-o-methoxyphenylalanine;3-(4-(Bis(2-chloroethyl)amino)-3-methoxyphenyl)alanine;3P;ALANINE, 3-(4-(BIS(2-CHLOROETHYL)AMINO)-3-METHOXYPHENYL)-;DTXSID00985540;2-amino-3-[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]propanoic acid;LS-15859;4-[Bis(2-chloroethyl)amino]-3-methoxyphenylalanine;3-[4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl]-2-aminopropionic acid
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CAS No:
3-[4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl]-2-aminopropionic acid Basic Attributes
335.225
334.085
Characteristics
75.8
-0.1
1.3867 (rough estimate)
Peritoneal-mouse LD50: 39 mg/kg
Combustible; burning produces toxic nitrogen oxides and chloride fumes; taking it causes stomach upset
Safety Information
Treasury is ventilated, low temperature and dry; stored separately from food materials
Computed Properties
Molecular Weight:335.2
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:334.0850979
Monoisotopic Mass:334.0850979
Topological Polar Surface Area:75.8
Heavy Atom Count:21
Complexity:315
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-[4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl]-2-aminopropionic acid
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