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Home > Pyridines > 158271-18-2
158271-18-2 | Pyridine, 1-cyclopropyl-1,2,3,6-tetrahydro-4-(phenylmethyl)-
CAS No: 158271-18-2 Catalog No: AG001Q3C MDL No:
Product Description
Catalog Number:
AG001Q3C
Chemical Name:
Pyridine, 1-cyclopropyl-1,2,3,6-tetrahydro-4-(phenylmethyl)-
CAS Number:
158271-18-2
Molecular Formula:
C15H19N
Molecular Weight:
213.3181
IUPAC Name:
4-benzyl-1-cyclopropyl-3,6-dihydro-2H-pyridine
InChI:
InChI=1S/C15H19N/c1-2-4-13(5-3-1)12-14-8-10-16(11-9-14)15-6-7-15/h1-5,8,15H,6-7,9-12H2
InChI Key:
XTVSQINPBNHYIX-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CC1=CCN(CC1)C1CC1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.324g/mol
Monoisotopic Mass:
213.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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