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13314-63-1 | Pyridine, 1-ethyl-1,2,3,6-tetrahydro-4-phenyl-
CAS No: 13314-63-1 Catalog No: AG0014BK MDL No:
Product Description
Catalog Number:
AG0014BK
Chemical Name:
Pyridine, 1-ethyl-1,2,3,6-tetrahydro-4-phenyl-
CAS Number:
13314-63-1
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
IUPAC Name:
1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine
InChI:
InChI=1S/C13H17N/c1-2-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-8H,2,9-11H2,1H3
InChI Key:
YQYRYHNCVCFNHU-UHFFFAOYSA-N
SMILES:
CCN1CCC(=CC1)c1ccccc1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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