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315248-31-8 | 1,3-Diallyl-1,2,3,4-tetrahydro-isoquinoline
CAS No: 315248-31-8 Catalog No: AG01EUW8 MDL No:
Product Description
Catalog Number:
AG01EUW8
Chemical Name:
1,3-Diallyl-1,2,3,4-tetrahydro-isoquinoline
CAS Number:
315248-31-8
Molecular Formula:
C15H19N
Molecular Weight:
213.3181
IUPAC Name:
1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C15H19N/c1-3-7-13-11-12-9-5-6-10-14(12)15(16-13)8-4-2/h3-6,9-10,13,15-16H,1-2,7-8,11H2
InChI Key:
LKIGZPJQDYMQKT-UHFFFAOYSA-N
SMILES:
C=CCC1NC(CC=C)c2c(C1)cccc2
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.324g/mol
Monoisotopic Mass:
213.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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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