N-Phenyl-β-alanine
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N-Phenyl-β-alanine
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CAS No:
5652-38-0
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Formula:
C9H11NO2
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Chemical Name:
N-Phenyl-β-alanine
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Synonyms:
β-Alanine,N-phenyl-;N-Phenyl-β-alanine;3-Anilinopropanoic acid;Propanoic acid,3-(phenylamino)-;3-Anilinopropionic acid;3-(Phenylamino)propionic acid;NSC 54626;N-(2-Carboxyethyl)aniline;3-(Phenylamino)propanoic acid
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CAS No:
Characteristics
49.33000
1.64620
1.209±0.06 g/cm3
58-59 °C @ Solvent: Ligroine, Chloroform
364.6±25.0 °C(Predicted)
174.3ºC
3.58±0.12
Computed Properties
Molecular Weight:165.19
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:165.078978594
Monoisotopic Mass:165.078978594
Topological Polar Surface Area:49.3
Heavy Atom Count:12
Complexity:142
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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InquiryCAS No.: 5652-38-0Grade: Pharmaceutical GradeContent: 99%
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