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Sitagliptin defluorinated impurity 3 (sitagliptin impurity I)

Name: Sitagliptin defluorinated impurity 3 (sitagliptin impurity I)
Brand: 2A Biotech
SKU: 2A-3184708

CAS Number851307-12-5

Synonyms(3R)-3-[(tert-Butoxycarbonyl)amino]-4-(2,4-difluorophenyl)butanoic acid

Molecular FormulaC15H19O4N1F2

Molecular Weight315.32

Density1.243±0.06 g/cm3

Boiling Point444.3±45.0 °C(Predicted)

Appearancesolid

Cat. No.: 2A-3184708 Purity:

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Quality Control of [ 851307-12-5 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number	851307-12-5
Catalog No.	2A-3184708
Chinese Name	(3R)-3-[(叔丁氧羰基)氨基]-4-(2,4-二氟苯基)丁酸
Synonyms	(3R)-3-[(tert-Butoxycarbonyl)amino]-4-(2,4-difluorophenyl)butanoic acid
Molecular Formula	C15H19O4N1F2
Molecular Weight	315.32
Density	1.243±0.06 g/cm3
Boiling Point	444.3±45.0 °C(Predicted)
Appearance	solid
Water Solubility	Practically insoluble (0.05 g/L) (25 ºC)
Storage Condition	room temperature
PubChem ID	231990088
MDL Number	MFCD27951984
SMILES	CC(C)(C)OC(=O)NC(CC(=O)O)Cc1ccc(F)cc1F
InChI	InChI=1S/C15H19F2NO4/c1-15(2,3)22-14(21)18-11(8-13(19)20)6-9-4-5-10(16)7-12(9)17/h4-5,7,11H,6,8H2,1-3H3,(H,18,21)(H,19,20)/t11-/m1/s1
InChI Key	LUYHWLQWAVCDNA-LLVKDONJSA-N
Transport Info	Product name: (R)-3-((tert-butoxycarbonyl)amino)-4-(2,4-difluorophenyl)butyric acid

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