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Home > Imidazoles > 18994-77-9
18994-77-9 | 1H-Imidazole, 1-(2-propyn-1-yl)-
CAS No: 18994-77-9 Catalog No: AG002E65 MDL No:MFCD06421422
Product Description
Catalog Number:
AG002E65
Chemical Name:
1H-Imidazole, 1-(2-propyn-1-yl)-
CAS Number:
18994-77-9
Molecular Formula:
C6H6N2
Molecular Weight:
106.1252
MDL Number:
MFCD06421422
IUPAC Name:
1-prop-2-ynylimidazole
InChI:
InChI=1S/C6H6N2/c1-2-4-8-5-3-7-6-8/h1,3,5-6H,4H2
InChI Key:
UGOQKSGJGCADAG-UHFFFAOYSA-N
SMILES:
C#CCn1cncc1
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.053g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
106.128g/mol
Monoisotopic Mass:
106.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Molecular assemblies from imidazolyl-containing haloalkenes and haloalkynes: competition between halogen and hydrogen bonding. | Chemistry (Weinheim an der Bergstrasse, Germany) 20070101 |
| Synthesis of indeno-fused derivatives of quinolizinium salts, imidazo[1,2-a]pyridine, pyrido[1,2-a]indole, and 4h-quinolizin-4-one via benzannulated enyne-allenes. | The Journal of organic chemistry 20050819 |
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