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Articaine Impurity 29

CAT: 1299-RM-A181029-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A181029-01Size:10 mg
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CAS Number
26524-34-5
Synonyms
4-methyl-N-propylpentan-2-imine
Molecular Formula
C9H19N
Molecular Weight
141.26
Target Alternative Name
Articaine
Product Name Synonym
4-methyl-N-propylpentan-2-imine

Chemical Information

Articaine Impurity 29
CAS Number26524-34-5
PubChem CID85771379
IUPAC Name4-methyl-N-propylpentan-2-imine
Molecular FormulaC9H19N
Molecular Weight141.25
XLogP2.2
Topological Polar Surface Area12.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity103
SMILES
CCCN=C(C)CC(C)C
InChI
InChI=1S/C9H19N/c1-5-6-10-9(4)7-8(2)3/h8H,5-7H2,1-4H3
InChIKey
AHZMKQOTAXPZDC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Articaine Impurity 29
CAS: 26524-34-5
CID: 85771379
Formula: C9H19N
MW: 141.25
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight141.25
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass141.151749610
Monoisotopic Mass141.151749610
Topological Polar Surface Area12.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity103
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