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Home > Other Heterocycles > 646056-23-7
646056-23-7 | 1,7-Diazaspiro[4.4]nonane, 1-methyl-7-(5-pyrimidinyl)-
CAS No: 646056-23-7 Catalog No: AG006SQ1 MDL No:
Product Description
Catalog Number:
AG006SQ1
Chemical Name:
1,7-Diazaspiro[4.4]nonane, 1-methyl-7-(5-pyrimidinyl)-
CAS Number:
646056-23-7
Molecular Formula:
C12H18N4
Molecular Weight:
218.2981
IUPAC Name:
1-methyl-7-pyrimidin-5-yl-1,7-diazaspiro[4.4]nonane
InChI:
InChI=1S/C12H18N4/c1-15-5-2-3-12(15)4-6-16(9-12)11-7-13-10-14-8-11/h7-8,10H,2-6,9H2,1H3
InChI Key:
POUAXVXKENTAMN-UHFFFAOYSA-N
SMILES:
CN1CCCC21CCN(C2)c1cncnc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.153g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.304g/mol
Monoisotopic Mass:
218.153g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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