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Home > Other Heterocycles > 918896-21-6
918896-21-6 | 1,9-Diazaspiro[5.5]undec-3-ene, 9-(phenylmethyl)-
CAS No: 918896-21-6 Catalog No: AG006MGF MDL No:
Product Description
Catalog Number:
AG006MGF
Chemical Name:
1,9-Diazaspiro[5.5]undec-3-ene, 9-(phenylmethyl)-
CAS Number:
918896-21-6
Molecular Formula:
C16H22N2
Molecular Weight:
242.3593
IUPAC Name:
9-benzyl-1,9-diazaspiro[5.5]undec-3-ene
InChI:
InChI=1S/C16H22N2/c1-2-6-15(7-3-1)14-18-12-9-16(10-13-18)8-4-5-11-17-16/h1-7,17H,8-14H2
InChI Key:
MCBHKVSYQPCEID-UHFFFAOYSA-N
SMILES:
C1=CCC2(NC1)CCN(CC2)Cc1ccccc1
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.178g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.366g/mol
Monoisotopic Mass:
242.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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