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90304-13-5 | 1H-Imidazole, 4-butyl-4,5-dihydro-
CAS No: 90304-13-5 Catalog No: AG006SN6 MDL No:
Product Description
Catalog Number:
AG006SN6
Chemical Name:
1H-Imidazole, 4-butyl-4,5-dihydro-
CAS Number:
90304-13-5
Molecular Formula:
C7H14N2
Molecular Weight:
126.1995
IUPAC Name:
5-butyl-4,5-dihydro-1H-imidazole
InChI:
InChI=1S/C7H14N2/c1-2-3-4-7-5-8-6-9-7/h6-7H,2-5H2,1H3,(H,8,9)
InChI Key:
CLSJSCFGEINQGX-UHFFFAOYSA-N
SMILES:
CCCCC1CNC=N1
Properties
Complexity:
99.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.116g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.203g/mol
Monoisotopic Mass:
126.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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