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Laurolinium acetate

CAT: 0931-T202816-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T202816-01Size:10 mg
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CAS Number
146-37-2
Bioactivity
Laurolinium acetate is a cationic antimicrobial agent.
Smiles
O=C([O-])C.NC1=CC(=[N+](C=2C=CC=CC12)CCCCCCCCCCCC)C
Molecular Formula
C24H38N2O2
Molecular Weight
386.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Laurolinium Acetate
CAS Number146-37-2
PubChem CID67354
IUPAC Name1-dodecyl-2-methylquinolin-1-ium-4-amine acetate
Molecular FormulaC24H38N2O2
Molecular Weight386.6
Topological Polar Surface Area70
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Heavy Atom Count28
Formal Charge0
Complexity343
SMILES
CCCCCCCCCCCC[N+]1=C(C=C(C2=CC=CC=C21)N)C.CC(=O)[O-]
InChI
InChI=1S/C22H34N2.C2H4O2/c1-3-4-5-6-7-8-9-10-11-14-17-24-19(2)18-21(23)20-15-12-13-16-22(20)24;1-2(3)4/h12-13,15-16,18,23H,3-11,14,17H2,1-2H3;1H3,(H,3,4)
InChIKey
WFENCVFYUBXRSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Laurolinium Acetate
CAS: 146-37-2
CID: 67354
Formula: C24H38N2O2
MW: 386.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Exact Mass386.293328459
Monoisotopic Mass386.293328459
Topological Polar Surface Area70 Ų
Heavy Atom Count28
Formal Charge0
Complexity343
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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