2-amino-3-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]propanoicacid
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![2-amino-3-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]propanoicacid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/866ec8d7d9e048c48123821da0c703b7.png "2-amino-3-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]propanoicacid")
2-amino-3-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]propanoicacid
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CAS No:
857-95-4
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Formula:
C19H22Cl2N2O3
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Chemical Name:
2-amino-3-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]propanoicacid
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Synonyms:
phentyrin;2-amino-3-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]propanoic acid;2-amino-3-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]propionic acid;2-azanyl-3-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]propanoic acid
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CAS No:
2-amino-3-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]propanoicacid Basic Attributes
397.296
396.101
Characteristics
75.8
1
1.3481 (rough estimate)
Oral-rat LD50; 620 mg/kg; Oral-Mouse LD50: 360 mg/kg
Flammable; burning produces toxic nitrogen oxides and chloride fumes
Safety Information
Treasury is ventilated, low temperature and dry; stored separately from food materials
Computed Properties
Molecular Weight:397.3
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:396.1007480
Monoisotopic Mass:396.1007480
Topological Polar Surface Area:75.8
Heavy Atom Count:26
Complexity:406
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
2-amino-3-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]propanoicacid
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