1-(1,1-Dimethylethyl) 4-(phenylmethyl) (2S)-1,2,4-piperazinetricarboxylate
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1-(1,1-Dimethylethyl) 4-(phenylmethyl) (2S)-1,2,4-piperazinetricarboxylate
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CAS No:
138775-03-8
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Formula:
C18H24N2O6
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Chemical Name:
1-(1,1-Dimethylethyl) 4-(phenylmethyl) (2S)-1,2,4-piperazinetricarboxylate
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Synonyms:
1,2,4-Piperazinetricarboxylic acid,1-(1,1-dimethylethyl) 4-(phenylmethyl) ester,(2S)-;1,2,4-Piperazinetricarboxylic acid,1-(1,1-dimethylethyl) 4-(phenylmethyl) ester,(S)-;1-(1,1-Dimethylethyl) 4-(phenylmethyl) (2S)-1,2,4-piperazinetricarboxylate;(S)-4-(Benzyloxycarbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid;(2S)-1-(Benzyloxycarbonyl)-2-carboxy-4-(benzyloxycarbonyl)piperazine;552881-20-6
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CAS No:
1-(1,1-Dimethylethyl) 4-(phenylmethyl) (2S)-1,2,4-piperazinetricarboxylate Basic Attributes
364.39300
364.39
DTXSID40426684
2933599090
Characteristics
96.38000
2.20490
1.272g/cm3
50-53 °C
518.9ºC at 760 mmHg
267.6ºC
1.555
1.36E-11mmHg at 25°C
Computed Properties
Molecular Weight:364.4
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:364.16343649
Monoisotopic Mass:364.16343649
Topological Polar Surface Area:96.4
Heavy Atom Count:26
Complexity:524
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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