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N-Phenyl-β-alanine

N-Phenyl-β-alanine structure

N-Phenyl-β-alanine 

structure
  • CAS No:

    5652-38-0

  • Formula:

    C9H11NO2

  • Chemical Name:

    N-Phenyl-β-alanine

  • 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

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

N-Phenyl-β-alanine Basic Attributes

165.19

165.19

54626

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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