BOC-(R)-3-AMINO-4-(2,4,5-TRIFLUORO-PHENYL)-BUTYRIC ACID
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BOC-(R)-3-AMINO-4-(2,4,5-TRIFLUORO-PHENYL)-BUTYRIC ACID
structure -
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CAS No:
486460-00-8
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Formula:
C15H18F3NO4
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Chemical Name:
BOC-(R)-3-AMINO-4-(2,4,5-TRIFLUORO-PHENYL)-BUTYRIC ACID
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Synonyms:
Benzenebutanoicacid,b-[[(1,1-diMethylethoxy)carbonyl]aMino]-2,4,5-trifluoro-,(bR)-;(R)-Sitagliptin N-Boc-Acid IMpurity;(3R)-N-(tert-Butoxycarbonyl)-3-aMino-4-(2,4,5-trifluorophenyl)-butanoic acid- Boc-(R)-3-AMino-4-(2,4,5-trifluorophenyl)butanoic acid (BOC acid);[[(1,1-diMethylethoxy)carbonyl]aMino]-2,4,5-trifluoro-(R)-benzenebuta;Boc-(R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoic acid (3R)-N-(tert-Butoxycarbonyl)-3-amino-4-(2,4,5-trifluorophenyl)butanoic acid;Boc-(R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoic acid, >=99%;(3R)-N-Boc-3-amino-4-(2,4,5-trifluorophenyl)butanoic acid;BOC-(R)-3-AMINO-4-(2,4,5-TRIFLUORO-PHENYL)-BUTYRIC ACID
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CAS No:
BOC-(R)-3-AMINO-4-(2,4,5-TRIFLUORO-PHENYL)-BUTYRIC ACID Basic Attributes
333.3
333.118805
1308068-626-2
2S9NWB23QS
DTXSID70428050
2924299090
Safety Information
IRRITANT
P273, P391, P501
H411
|H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:333.30
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:333.11879254
Monoisotopic Mass:333.11879254
Topological Polar Surface Area:75.6
Heavy Atom Count:23
Complexity:427
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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BOC-(R)-3-AMINO-4-(2,4,5-TRIFLUORO-PHENYL)-BUTYRIC ACID
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