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203519-88-4 | 1-Piperazinecarboxylic acid, 4-(6-chloro-4-pyrimidinyl)-, 1,1-dimethylethyl ester
CAS No: 203519-88-4 Catalog No: AG0028XU MDL No:MFCD09607868
Product Description
Catalog Number:
AG0028XU
Chemical Name:
1-Piperazinecarboxylic acid, 4-(6-chloro-4-pyrimidinyl)-, 1,1-dimethylethyl ester
CAS Number:
203519-88-4
Molecular Formula:
C13H19ClN4O2
Molecular Weight:
298.7686
MDL Number:
MFCD09607868
IUPAC Name:
tert-butyl 4-(6-chloropyrimidin-4-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C13H19ClN4O2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-8-10(14)15-9-16-11/h8-9H,4-7H2,1-3H3
InChI Key:
OKGUCUQGOHTRAC-UHFFFAOYSA-N
SMILES:
Clc1ncnc(c1)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.12g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.771g/mol
Monoisotopic Mass:
298.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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