α-Amino-4-[bis(2-chloroethyl)amino]benzenebutanoic acid
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![α-Amino-4-[bis(2-chloroethyl)amino]benzenebutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8f5924874d1646eea2086bd9735d52c1.png "α-Amino-4-[bis(2-chloroethyl)amino]benzenebutanoic acid")
α-Amino-4-[bis(2-chloroethyl)amino]benzenebutanoic acid
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CAS No:
3688-35-5
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Formula:
C14H20Cl2N2O2
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Chemical Name:
α-Amino-4-[bis(2-chloroethyl)amino]benzenebutanoic acid
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Synonyms:
Benzenebutanoic acid,α-amino-4-[bis(2-chloroethyl)amino]-;Butyric acid,2-amino-4-[p-[bis(2-chloroethyl)amino]phenyl]-;α-Amino-4-[bis(2-chloroethyl)amino]benzenebutanoic acid;α-Amino-γ-(p-dichloroethylamino)phenylbutyric acid;Aminochlorambucil;C. B. 1385;NSC 260461;2-Amino-4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid
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CAS No:
α-Amino-4-[bis(2-chloroethyl)amino]benzenebutanoic acid Basic Attributes
319.226
319.23
260461
2922499990
Characteristics
66.6
0.1
1.3320 (rough estimate)
155-158 °C (decomp) @ Solvent: Methanol
486.3ºC at 760 mmHg
247.9ºC
1.588
Peritoneal-rat LDL0: 25 mg/kg; subcutaneous-mouse LD10: 20 mg/kg
Flammable; burning produces toxic nitrogen oxides and chloride fumes
Computed Properties
Molecular Weight:319.2
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:318.0901833
Monoisotopic Mass:318.0901833
Topological Polar Surface Area:66.6
Heavy Atom Count:20
Complexity:278
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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α-Amino-4-[bis(2-chloroethyl)amino]benzenebutanoic acid
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