1,1-Dimethylethyl (3S,4R)-3-amino-4-fluoro-1-pyrrolidinecarboxylate
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1,1-Dimethylethyl (3S,4R)-3-amino-4-fluoro-1-pyrrolidinecarboxylate
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CAS No:
1174020-30-4
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Formula:
C9H17FN2O2
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Chemical Name:
1,1-Dimethylethyl (3S,4R)-3-amino-4-fluoro-1-pyrrolidinecarboxylate
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Synonyms:
1-Pyrrolidinecarboxylic acid,3-amino-4-fluoro-,1,1-dimethylethyl ester,(3S,4R)-;1,1-Dimethylethyl (3S,4R)-3-amino-4-fluoro-1-pyrrolidinecarboxylate
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CAS No:
1,1-Dimethylethyl (3S,4R)-3-amino-4-fluoro-1-pyrrolidinecarboxylate Basic Attributes
204.2418832
204.24
Characteristics
55.56000
1.54070
1.13±0.1 g/cm3(Predicted)
266.1±40.0 °C(Predicted)
114.7±27.3 °C
1.482
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:204.24
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:204.12740595
Monoisotopic Mass:204.12740595
Topological Polar Surface Area:55.6
Heavy Atom Count:14
Complexity:227
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,1-Dimethylethyl (3S,4R)-3-amino-4-fluoro-1-pyrrolidinecarboxylate
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