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2-Propyl-2-imidazoline

CAT: 0024-sc-484913Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-484913Size:25 g
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CAS Number
15450-05-2

Chemical Information

2-Imidazoline, 2-propyl-
CAS Number15450-05-2
PubChem CID27291
IUPAC Name2-propyl-4,5-dihydro-1H-imidazole
Molecular FormulaC6H12N2
Molecular Weight112.17
XLogP0.1
Topological Polar Surface Area24.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity96
SMILES
CCCC1=NCCN1
InChI
InChI=1S/C6H12N2/c1-2-3-6-7-4-5-8-6/h2-5H2,1H3,(H,7,8)
InChIKey
LFCYHAXVBWPGQR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Imidazoline, 2-propyl-
CAS: 15450-05-2
CID: 27291
Formula: C6H12N2
MW: 112.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight112.17
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass112.100048391
Monoisotopic Mass112.100048391
Topological Polar Surface Area24.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity96.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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AR-I03405-012-Methyl-2-imidazoline
AAA93649-012-Phenyl-2-imidazoline
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