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92039-53-7 | 4-(4-ethylphenyl)-1,2,3,6-tetrahydropyridine
CAS No: 92039-53-7 Catalog No: AG01AERX MDL No:MFCD08689310
Product Description
Catalog Number:
AG01AERX
Chemical Name:
4-(4-ethylphenyl)-1,2,3,6-tetrahydropyridine
CAS Number:
92039-53-7
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
MDL Number:
MFCD08689310
IUPAC Name:
4-(4-ethylphenyl)-1,2,3,6-tetrahydropyridine
InChI:
InChI=1S/C13H17N/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13/h3-7,14H,2,8-10H2,1H3
InChI Key:
ZQNRDVQYZGESMB-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C1=CCNCC1
Properties
Complexity:
199
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:
1
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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