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About This Item
Empirical Formula (Hill Notation):
C5H9ClF2N2O
CAS Number:
Molecular Weight:
186.59
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
Assay:
97%
Form:
solid
InChI
1S/C5H8F2N2O.ClH/c6-5(7)1-3(4(8)10)9-2-5;/h3,9H,1-2H2,(H2,8,10);1H/t3-;/m0./s1
SMILES string
Cl.NC(=O)[C@@H]1CC(F)(F)CN1
InChI key
RRQDQYAEZGKHOB-DFWYDOINSA-N
assay
97%
form
solid
optical activity
[α]/D −23±5°, c = 0.5 in H2O
functional group
amide, fluoro
Quality Level
Application
4,4-Difluoro-L-prolinamide hydrochloride can be used as a building block in the synthesis of cyanopyrrolidine based DPP-IV inhibitors.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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Synthesis and structure-activity relationships of potent 3-or 4-substituted-2-cyanopyrrolidine dipeptidyl peptidase IV inhibitors
Fukushima H, et al.
Bioorganic & Medicinal Chemistry, 12(23), 6053-6061 (2004)
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