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1261236-07-0 | 1-Piperazinecarboxylic acid, 4-(4-chloro-5-methyl-2-pyrimidinyl)-, 1,1-dimethylethyl ester
CAS No: 1261236-07-0 Catalog No: AG000RPD MDL No:
Product Description
Catalog Number:
AG000RPD
Chemical Name:
1-Piperazinecarboxylic acid, 4-(4-chloro-5-methyl-2-pyrimidinyl)-, 1,1-dimethylethyl ester
CAS Number:
1261236-07-0
Molecular Formula:
C14H21ClN4O2
Molecular Weight:
312.7951
IUPAC Name:
tert-butyl 4-(4-chloro-5-methylpyrimidin-2-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C14H21ClN4O2/c1-10-9-16-12(17-11(10)15)18-5-7-19(8-6-18)13(20)21-14(2,3)4/h9H,5-8H2,1-4H3
InChI Key:
FCVACVPKAJGXFB-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ncc(c(n1)Cl)C)OC(C)(C)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.135g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.798g/mol
Monoisotopic Mass:
312.135g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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