2-amino-3-[[4-[bis(2-chloroethyl)amino]phenyl]methylsulfonyl]propanoic acid
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![2-amino-3-[[4-[bis(2-chloroethyl)amino]phenyl]methylsulfonyl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/45cbf13840ea45e3a562c02cf3138ef2.png "2-amino-3-[[4-[bis(2-chloroethyl)amino]phenyl]methylsulfonyl]propanoic acid")
2-amino-3-[[4-[bis(2-chloroethyl)amino]phenyl]methylsulfonyl]propanoic acid
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CAS No:
6940-98-3
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Formula:
C14H20Cl2N2O4S
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Chemical Name:
2-amino-3-[[4-[bis(2-chloroethyl)amino]phenyl]methylsulfonyl]propanoic acid
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Synonyms:
3-(p-(Bis(2-chloroethyl)amino)benzylsulfonyl)-L-alanine;6940-98-3;NSC 60431;3-[p-[Bis(2-chloroethyl)amino]benzylsulfonyl]-L-alanine;BRN 2821420;NSC60431;3-p-Bis(2-chloroethyl)amino benzylsulfonyl-L-alanine;ALANINE, beta-(p-(BIS(2-CHLOROETHYL)AMINO)BENZYLSULFONYL)-, L-;L-Alanine, 3-[[[4-[bis(2-chloroethyl)amino]phenyl]methyl]sulfonyl]-;NSC-60431;WLN: QVYZ1SW1R DN2G2G -L;L-Alanine, 3-(((4-(bis(2-chloroethyl)amino)phenyl)methyl)sulfonyl)- (9CI)
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CAS No:
2-amino-3-[[4-[bis(2-chloroethyl)amino]phenyl]methylsulfonyl]propanoic acid Basic Attributes
383.3 g/mol
382.0520837 g/mol
60431
Computed Properties
Molecular Weight:383.3
XLogP3:-1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:382.0520837
Monoisotopic Mass:382.0520837
Topological Polar Surface Area:109
Heavy Atom Count:23
Complexity:456
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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