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Home > Imidazoles > 338402-60-1
338402-60-1 | 1H-Imidazole,4,5-dihydro-2-(nitromethyl)-(9CI)
CAS No: 338402-60-1 Catalog No: AG00CXA2 MDL No:MFCD00214725
Product Description
Catalog Number:
AG00CXA2
Chemical Name:
1H-Imidazole,4,5-dihydro-2-(nitromethyl)-(9CI)
CAS Number:
338402-60-1
Molecular Formula:
C4H7N3O2
Molecular Weight:
129.1173
MDL Number:
MFCD00214725
IUPAC Name:
2-(nitromethyl)-4,5-dihydro-1H-imidazole
InChI:
InChI=1S/C4H7N3O2/c8-7(9)3-4-5-1-2-6-4/h1-3H2,(H,5,6)
InChI Key:
XDDKIEABPTZZTO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC1=NCCN1
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.054g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
129.119g/mol
Monoisotopic Mass:
129.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Literature
| Title | Journal |
|---|---|
| Structural features of azidopyridinyl neonicotinoid probes conferring high affinity and selectivity for mammalian alpha4beta2 and Drosophila nicotinic receptors. | Journal of medicinal chemistry 20020620 |
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