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Home > Imidazoles > 65039-10-3
65039-10-3 | 1-Allyl-3-methyl-1H-imidazol-3-ium chloride
CAS No: 65039-10-3 Catalog No: AG003DXA MDL No:MFCD07784450
Product Description
Catalog Number:
AG003DXA
Chemical Name:
1-Allyl-3-methyl-1H-imidazol-3-ium chloride
CAS Number:
65039-10-3
Molecular Formula:
C7H11ClN2
Molecular Weight:
158.6286
MDL Number:
MFCD07784450
IUPAC Name:
1-methyl-3-prop-2-enylimidazol-1-ium;chloride
InChI:
InChI=1S/C7H11N2.ClH/c1-3-4-9-6-5-8(2)7-9;/h3,5-7H,1,4H2,2H3;1H/q+1;/p-1
InChI Key:
QVRCRKLLQYOIKY-UHFFFAOYSA-M
SMILES:
C=CCn1cc[n+](c1)C.[Cl-]
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.061g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.629g/mol
Monoisotopic Mass:
158.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
8.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Ascotricins A and B, novel antagonists of sphingosine-1-phosphate receptor 1 from Ascotricha chartarum Berk. SANK 14186. | The Journal of antibiotics 20090701 |
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