3-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
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![3-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/294c2e033199412d923065c9440adf1f.png "3-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid")
3-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
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CAS No:
1952-98-3
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Formula:
C13H18Cl2N2O2
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Chemical Name:
3-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
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Synonyms:
Ho-14;1952-98-3;BRN 2750748;p-Bis(2-chloroethyl)amino-beta-phenylalanine;3-(p-(Bis(2-chloroethyl)amino)phenyl)-beta-alanine;beta-ALANINE, 3-(p-(BIS(2-CHLOROETHYL)AMINO)PHENYL)-;4-14-00-01686 (Beilstein Handbook Reference);SCHEMBL13499788;DTXSID80941285;Z2684;3-Amino-3-(4-[bis-(2-chloro-ethyl)-amino]-phenyl)propionic acid;3-AMINO-3-{4-[BIS(2-CHLOROETHYL)AMINO]PHENYL}PROPANOIC ACID;Hydrocinnamic acid, beta-amino-p-(bis(2-chloroethyl)amino)- (8CI)
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CAS No:
3-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid Basic Attributes
305.20 g/mol
304.0745332 g/mol
Computed Properties
Molecular Weight:305.20
XLogP3:-0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:304.0745332
Monoisotopic Mass:304.0745332
Topological Polar Surface Area:66.6
Heavy Atom Count:19
Complexity:265
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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