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Home > Other Heterocycles > 83562-28-1
83562-28-1 | 1-Azaspiro[5.5]undec-7-ene, 7-butyl-1-(phenylmethyl)-
CAS No: 83562-28-1 Catalog No: AG004UOM MDL No:
Product Description
Catalog Number:
AG004UOM
Chemical Name:
1-Azaspiro[5.5]undec-7-ene, 7-butyl-1-(phenylmethyl)-
CAS Number:
83562-28-1
Molecular Formula:
C21H31N
Molecular Weight:
297.4775
IUPAC Name:
1-benzyl-11-butyl-1-azaspiro[5.5]undec-10-ene
InChI:
InChI=1S/C21H31N/c1-2-3-13-20-14-7-8-15-21(20)16-9-10-17-22(21)18-19-11-5-4-6-12-19/h4-6,11-12,14H,2-3,7-10,13,15-18H2,1H3
InChI Key:
YJOOOQRUSWZFSC-UHFFFAOYSA-N
SMILES:
CCCCC1=CCCCC21CCCCN2Cc1ccccc1
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.246g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.486g/mol
Monoisotopic Mass:
297.246g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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