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CAT: 0498-bs-75410C-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-75410C-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
31059-54-8
Conjugation
Unconjugated
Purity
>97% (NMR)
Buffer
Solid
Solubility
Soluble in methanol or DMSO (3mg/ml) . Sparingly soluble in water.
Smiles
[I-].C[N+](C)(C)CCC(=O)C1=C2C=CC=CC2=CC=C1
Molecular Formula
C16H20INO
Molecular Weight
369.2
Storage Conditions
Stable for 2 years after receipt when stored at -20°C.
Appearance
White to off-white solid.

Chemical Information

2-Naphthoylethyltrimethylammonium

structure given in first source; RN given refers to iodide

CAS Number31059-54-8
PubChem CID169245
IUPAC Nametrimethyl-(3-naphthalen-2-yl-3-oxopropyl)azanium iodide
Molecular FormulaC16H20INO
Molecular Weight369.24
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity292
SMILES
C[N+](C)(C)CCC(=O)C1=CC2=CC=CC=C2C=C1.[I-]
InChI
InChI=1S/C16H20NO.HI/c1-17(2,3)11-10-16(18)15-9-8-13-6-4-5-7-14(13)12-15;/h4-9,12H,10-11H2,1-3H3;1H/q+1;/p-1
InChIKey
LIFHUGCXEAQKRZ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 2-Naphthoylethyltrimethylammonium
CAS: 31059-54-8
CID: 169245
Formula: C16H20INO
MW: 369.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.24
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass369.05896
Monoisotopic Mass369.05896
Topological Polar Surface Area17.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity292
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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