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AA00189

1000207-52-2 | tert-Butyl 4-(2-chloro-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-ylamino)piperidine-1-carboxylate

Packsize Purity Availability Price Discounted Price    Quantity
1g 95% In Stock US $748.00 $524.00 -   +

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Description
Catalog Number: AA00189
Chemical Name: tert-Butyl 4-(2-chloro-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-ylamino)piperidine-1-carboxylate
CAS Number: 1000207-52-2
Molecular Formula: C17H25ClN4O2
Molecular Weight: 352.8590
MDL Number: MFCD28053709
IUPAC Name: tert-butyl 4-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]piperidine-1-carboxylate
InChl: InChI=1S/C17H25ClN4O2/c1-17(2,3)24-16(23)22-9-7-11(8-10-22)19-14-12-5-4-6-13(12)20-15(18)21-14/h11H,4-10H2,1-3H3,(H,19,20,21)
InChl Key: UZLCQUCIVGMPHU-UHFFFAOYSA-N
SMILES: O=C(N1CCC(CC1)Nc1nc(Cl)nc2c1CCC2)OC(C)(C)C

 

Computed Properties
Complexity: 448  
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 352.167g/mol
Formal Charge: 0
Heavy Atom Count: 24  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0
Molecular Weight: 352.863g/mol
Monoisotopic Mass: 352.167g/mol
Rotatable Bond Count: 4  
Topological Polar Surface Area: 67.4A^2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 3.6  

 

 

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