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70152-27-1 | 1-benzyl-4-(3-phenylpropyl)-1,2,3,6-tetrahydropyridine
CAS No: 70152-27-1 Catalog No: AG00FU0N MDL No:MFCD18800726
Product Description
Catalog Number:
AG00FU0N
Chemical Name:
1-benzyl-4-(3-phenylpropyl)-1,2,3,6-tetrahydropyridine
CAS Number:
70152-27-1
Molecular Formula:
C21H25N
Molecular Weight:
291.4299
MDL Number:
MFCD18800726
IUPAC Name:
1-benzyl-4-(3-phenylpropyl)-3,6-dihydro-2H-pyridine
InChI:
InChI=1S/C21H25N/c1-3-8-19(9-4-1)12-7-13-20-14-16-22(17-15-20)18-21-10-5-2-6-11-21/h1-6,8-11,14H,7,12-13,15-18H2
InChI Key:
RJKHELOCNIIEFU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CCCC1=CCN(CC1)Cc1ccccc1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.199g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.438g/mol
Monoisotopic Mass:
291.199g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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