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Home > Encyclopedia > 1,1-Dimethylethyl (βS)-β-aminobenzenepropanoate

1,1-Dimethylethyl (βS)-β-aminobenzenepropanoate

1,1-Dimethylethyl (βS)-β-aminobenzenepropanoate structure

1,1-Dimethylethyl (βS)-β-aminobenzenepropanoate 

structure
  • CAS No:

    120686-18-2

  • Formula:

    C13H19NO2

  • Chemical Name:

    1,1-Dimethylethyl (βS)-β-aminobenzenepropanoate

  • Synonyms:

    Benzenepropanoic acid,β-amino-,1,1-dimethylethyl ester,(βS)-;Benzenepropanoic acid,β-amino-,1,1-dimethylethyl ester,(S)-;1,1-Dimethylethyl (βS)-β-aminobenzenepropanoate;tert-Butyl (3S)-3-amino-3-phenylpropanoate;tert-Butyl (S)-3-amino-3-phenylpropanoate;(S)-3-Amino-3-phenylpropanoic acid tert-butyl ester;(S)-tert-Butyl3-amino-3-phenylpropanoate

  • Categories:

    Organic Chemistry  >  Alcohols, Phenols, Phenol Alcohols

1,1-Dimethylethyl (βS)-β-aminobenzenepropanoate Basic Attributes

221.29500

221.30

Characteristics

52.32000

3.11850

colorless to light brown clear liquid.

318.7ºC at 760 mmHg

170.6ºC

1.496-1.498

0.000354mmHg at 25°C

Safety Information

UN2735

R34

S26; S36/37/39; S45

C

Computed Properties

Molecular Weight:221.29
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:221.141578849
Monoisotopic Mass:221.141578849
Topological Polar Surface Area:52.3
Heavy Atom Count:16
Complexity:227
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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