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Home > Pyridines > 439125-79-8
439125-79-8 | 2,6-Bis-(2-methyl-allyl)-1,2,3,6-tetrahydro-pyridine
CAS No: 439125-79-8 Catalog No: AG01EVYH MDL No:
Product Description
Catalog Number:
AG01EVYH
Chemical Name:
2,6-Bis-(2-methyl-allyl)-1,2,3,6-tetrahydro-pyridine
CAS Number:
439125-79-8
Molecular Formula:
C13H21N
Molecular Weight:
191.3125
IUPAC Name:
2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridine
InChI:
InChI=1S/C13H21N/c1-10(2)8-12-6-5-7-13(14-12)9-11(3)4/h5-6,12-14H,1,3,7-9H2,2,4H3
InChI Key:
IPEKJIHMWYWWCB-UHFFFAOYSA-N
SMILES:
CC(=C)CC1CC=CC(N1)CC(=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:
191.167g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.318g/mol
Monoisotopic Mass:
191.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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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