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87207-60-1 | Quinoline, decahydro-1-(3-phenylpropyl)-
CAS No: 87207-60-1 Catalog No: AG004RRT MDL No:
Product Description
Catalog Number:
AG004RRT
Chemical Name:
Quinoline, decahydro-1-(3-phenylpropyl)-
CAS Number:
87207-60-1
Molecular Formula:
C18H27N
Molecular Weight:
257.4137
IUPAC Name:
1-(3-phenylpropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
InChI:
InChI=1S/C18H27N/c1-2-8-16(9-3-1)10-6-14-19-15-7-12-17-11-4-5-13-18(17)19/h1-3,8-9,17-18H,4-7,10-15H2
InChI Key:
WSLHGCCUHPTXTE-UHFFFAOYSA-N
SMILES:
C1CCC2C(C1)N(CCCc1ccccc1)CCC2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.214g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.421g/mol
Monoisotopic Mass:
257.214g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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