2-amino-3-[5-[bis(2-chloroethyl)amino]-1-(4-methylphenyl)benzimidazol-2-yl]propanoic acid
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![2-amino-3-[5-[bis(2-chloroethyl)amino]-1-(4-methylphenyl)benzimidazol-2-yl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/da003b4c3fe1451a935710ddd6b395c7.png "2-amino-3-[5-[bis(2-chloroethyl)amino]-1-(4-methylphenyl)benzimidazol-2-yl]propanoic acid")
2-amino-3-[5-[bis(2-chloroethyl)amino]-1-(4-methylphenyl)benzimidazol-2-yl]propanoic acid
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CAS No:
72437-91-3
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Formula:
C21H24Cl2N4O2
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Chemical Name:
2-amino-3-[5-[bis(2-chloroethyl)amino]-1-(4-methylphenyl)benzimidazol-2-yl]propanoic acid
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Synonyms:
beta-(1-(p-tolyl)-5-bis(beta-chloroethyl)aminobenzimidazolyl-(2))-DL-alanine;ZIMET 86-76;72437-91-3;Zimet 86-76;3-{5-[bis(2-chloroethyl)amino]-1-(4-methylphenyl)-1h-benzimidazol-2-yl}alanine;DTXSID90993250;beta-(1-(p-Tolyl)-5-bis(beta-chloroethyl)aminobenzimidazolyl-(2))-DL-alanine;1H-Benzimidazole-2-propanoic acid, alpha-amino-5-(bis(2-chloroethyl)amino)-1-(4-methylphenyl)-, (+-)-
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CAS No:
2-amino-3-[5-[bis(2-chloroethyl)amino]-1-(4-methylphenyl)benzimidazol-2-yl]propanoic acid Basic Attributes
435.3 g/mol
434.1276314 g/mol
Computed Properties
Molecular Weight:435.3
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:434.1276314
Monoisotopic Mass:434.1276314
Topological Polar Surface Area:84.4
Heavy Atom Count:29
Complexity:527
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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