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Home > Other Heterocycles > 1158749-78-0
1158749-78-0 | 1,6-Diazaspiro[3.4]octane, 6-(phenylmethyl)-
CAS No: 1158749-78-0 Catalog No: AG000H07 MDL No:MFCD12406508
Product Description
Catalog Number:
AG000H07
Chemical Name:
1,6-Diazaspiro[3.4]octane, 6-(phenylmethyl)-
CAS Number:
1158749-78-0
Molecular Formula:
C13H18N2
Molecular Weight:
202.2954
MDL Number:
MFCD12406508
IUPAC Name:
7-benzyl-1,7-diazaspiro[3.4]octane
InChI:
InChI=1S/C13H18N2/c1-2-4-12(5-3-1)10-15-9-7-13(11-15)6-8-14-13/h1-5,14H,6-11H2
InChI Key:
DMEVQAIDIWCDNI-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CCC2(C1)CCN2
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.301g/mol
Monoisotopic Mass:
202.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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