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Ethyl (βS)-β-aminobenzenepropanoate

Ethyl (βS)-β-aminobenzenepropanoate structure

CAS No:
3082-69-7
Formula:
C11H15NO2
Chemical Name:
Ethyl (βS)-β-aminobenzenepropanoate
Synonyms:
Benzenepropanoic acid,β-amino-,ethyl ester,(βS)-;Hydrocinnamic acid,β-amino-,ethyl ester,(S)-(+)-;Benzenepropanoic acid,β-amino-,ethyl ester,(S)-;Ethyl (βS)-β-aminobenzenepropanoate;(S)-Ethyl 3-amino-3-phenylpropionate;Ethyl (S)-3-amino-3-phenylpropanoate;Ethyl (3S)-3-amino-3-phenylpropanoate

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Ethyl (βS)-β-aminobenzenepropanoate Basic Attributes

Molecular Weight：

193.242

Exact Mass：

193.24

EC Number：

608-546-7

DSSTox ID：

DTXSID80358773

HScode：

2922499990

Characteristics

PSA：

52.32000

XLogP3：

1.86

Density：

1.1±0.1 g/cm3

Boiling Point：

140-150 °C @ Press: 16 Torr

Flash Point：

154.7±21.5 °C

Refractive Index：

1.524

Ethyl (βS)-β-aminobenzenepropanoate Use and Manufacturing

(βS)-β-Aminobenzenepropanoic Acid Ethyl Ester in the synthesis of CCR5 antagonists in the treatment of HIV. In addition, it is used in the preparation of 1,4-Benzoxazin-3(4H)-one derivatives showing antithrombotic activity.

Computed Properties

Molecular Weight:193.24
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:193.110278721
Monoisotopic Mass:193.110278721
Topological Polar Surface Area:52.3
Heavy Atom Count:14
Complexity:176
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl (βS)-β-aminobenzenepropanoate

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Ethyl (βS)-β-aminobenzenepropanoate

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