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Home > Other Heterocycles > 99214-52-5
99214-52-5 | 4,7-Diazaspiro[2.5]octane
CAS No: 99214-52-5 Catalog No: AG0066A2 MDL No:MFCD07373055
Product Description
Catalog Number:
AG0066A2
Chemical Name:
4,7-Diazaspiro[2.5]octane
CAS Number:
99214-52-5
Molecular Formula:
C6H12N2
Molecular Weight:
112.1729
MDL Number:
MFCD07373055
IUPAC Name:
4,7-diazaspiro[2.5]octane
InChI:
InChI=1S/C6H12N2/c1-2-6(1)5-7-3-4-8-6/h7-8H,1-5H2
InChI Key:
RLPYXXBIHMUZRE-UHFFFAOYSA-N
SMILES:
C1CNC2(CN1)CC2
Properties
Complexity:
96.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.1g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
112.176g/mol
Monoisotopic Mass:
112.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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