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Home > Imidazoles > 72818-64-5
72818-64-5 | 1H-Indole, 1-ethyl-3-(1H-imidazol-1-ylmethyl)-
CAS No: 72818-64-5 Catalog No: AG005OP5 MDL No:
Product Description
Catalog Number:
AG005OP5
Chemical Name:
1H-Indole, 1-ethyl-3-(1H-imidazol-1-ylmethyl)-
CAS Number:
72818-64-5
Molecular Formula:
C14H15N3
Molecular Weight:
225.2890
IUPAC Name:
1-ethyl-3-(imidazol-1-ylmethyl)indole
InChI:
InChI=1S/C14H15N3/c1-2-17-10-12(9-16-8-7-15-11-16)13-5-3-4-6-14(13)17/h3-8,10-11H,2,9H2,1H3
InChI Key:
KIIFZBAPVHIJQJ-UHFFFAOYSA-N
SMILES:
CCn1cc(c2c1cccc2)Cn1cncc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.127g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.295g/mol
Monoisotopic Mass:
225.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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