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92039-54-8 | 1-(2-phenylethyl)-1,2,3,6-tetrahydropyridine
CAS No: 92039-54-8 Catalog No: AG00IH09 MDL No:MFCD28127916
Product Description
Catalog Number:
AG00IH09
Chemical Name:
1-(2-phenylethyl)-1,2,3,6-tetrahydropyridine
CAS Number:
92039-54-8
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
MDL Number:
MFCD28127916
IUPAC Name:
1-(2-phenylethyl)-3,6-dihydro-2H-pyridine
InChI:
InChI=1S/C13H17N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1-5,7-8H,6,9-12H2
InChI Key:
YIOOFSFSYIFVGA-UHFFFAOYSA-N
SMILES:
C1=CCN(CC1)CCc1ccccc1
Properties
Complexity:
180
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:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Time-dependent slowly-reversible inhibition of monoamine oxidase A by N-substituted 1,2,3,6-tetrahydropyridines. | Bioorganic & medicinal chemistry 20111215 |
| Identification of isobaric product ions in electrospray ionization mass spectra of fentanyl using multistage mass spectrometry and deuterium labeling. | Rapid communications in mass spectrometry : RCM 20100915 |
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