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80432-06-0 | 1H-Imidazolium, 1-methyl-3-propyl-
CAS No: 80432-06-0 Catalog No: AG008MOJ MDL No:
Product Description
Catalog Number:
AG008MOJ
Chemical Name:
1H-Imidazolium, 1-methyl-3-propyl-
CAS Number:
80432-06-0
Molecular Formula:
C7H15N2+
Molecular Weight:
127.2074
IUPAC Name:
1-methyl-3-propyl-1,2-dihydroimidazol-1-ium
InChI:
InChI=1S/C7H14N2/c1-3-4-9-6-5-8(2)7-9/h5-6H,3-4,7H2,1-2H3/p+1
InChI Key:
JFYZBXKLRPWSGV-UHFFFAOYSA-O
SMILES:
CCCN1C=C[NH+](C1)C
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.124g/mol
Formal Charge:
1
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.211g/mol
Monoisotopic Mass:
127.124g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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