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Home > Indoles and Oxindole > 14134-81-7
14134-81-7 | 3H-Indolium, 1-ethyl-2,3,3-trimethyl-, iodide (1:1)
CAS No: 14134-81-7 Catalog No: AG001G9D MDL No:
Product Description
Catalog Number:
AG001G9D
Chemical Name:
3H-Indolium, 1-ethyl-2,3,3-trimethyl-, iodide (1:1)
CAS Number:
14134-81-7
Molecular Formula:
C13H18IN
Molecular Weight:
315.1932
IUPAC Name:
1-ethyl-2,3,3-trimethylindol-1-ium;iodide
InChI:
InChI=1S/C13H18N.HI/c1-5-14-10(2)13(3,4)11-8-6-7-9-12(11)14;/h6-9H,5H2,1-4H3;1H/q+1;/p-1
InChI Key:
WHXDRZOCHPMFIX-UHFFFAOYSA-M
SMILES:
CC[N+]1=C(C)C(c2c1cccc2)(C)C.[I-]
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.198g/mol
Monoisotopic Mass:
315.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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