2-(2-cyanoethylamino)-3-phenylpropanoic acid
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2-(2-cyanoethylamino)-3-phenylpropanoic acid
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CAS No:
15095-74-6
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Formula:
C12H14N2O2
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Chemical Name:
2-(2-cyanoethylamino)-3-phenylpropanoic acid
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Synonyms:
Cyanethyl-phenylalanin; HMS563H18; N-
-phenylalanin;
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CAS No:
2-(2-cyanoethylamino)-3-phenylpropanoic acid Basic Attributes
218.25200
218.105527694
DTXSID00372416
2926909090
Characteristics
73.12000
1.57648
1.176g/cm3
426.4ºC at 760mmHg
211.7ºC
1.553
0.03 M
4.98E-08mmHg at 25°C
Computed Properties
Molecular Weight:218.25
XLogP3:-1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:218.105527694
Monoisotopic Mass:218.105527694
Topological Polar Surface Area:73.1
Heavy Atom Count:16
Complexity:263
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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