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Home > Pyridines > 462068-10-6
462068-10-6 | 2,6-Diallyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CAS No: 462068-10-6 Catalog No: AG01EW3C MDL No:
Product Description
Catalog Number:
AG01EW3C
Chemical Name:
2,6-Diallyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CAS Number:
462068-10-6
Molecular Formula:
C13H19N
Molecular Weight:
189.2967
IUPAC Name:
4-ethenyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
InChI:
InChI=1S/C13H19N/c1-4-7-12-9-11(6-3)10-13(14-12)8-5-2/h4-6,9,12-14H,1-3,7-8,10H2
InChI Key:
KBXHPBIUZZCCJG-UHFFFAOYSA-N
SMILES:
C=CCC1NC(CC=C)C=C(C1)C=C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.152g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.302g/mol
Monoisotopic Mass:
189.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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