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2-Dodecylisoquinolinium Bromide

CAT: 0572-TRC-D525540-2.5GSize: 2.5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-D525540-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
93-23-2
Synonyms
Decelerine; Dodecylisoquinolinium Bromide; Isothan; Isothan Q 15; Isothan Q-90; Laurylisoquinolinium Bromide; N-Laurylisoquinolinium Bromide; n-Dodecylisoquinolinium Bromide
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
CCCCCCCCCCCC[N+]1=CC=C2C=CC=CC2=C1.[Br-]
Molecular Formula
C21H32BrN
Molecular Weight
378.39
Shipping Conditions
Dry Pack
Storage Conditions
+4°C

Chemical Information

Lauryl Isoquinolinium Bromide
CAS Number93-23-2
PubChem CID7132
IUPAC Name2-dodecylisoquinolin-2-ium bromide
Molecular FormulaC21H32BrN
Molecular Weight378.4
Topological Polar Surface Area3.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count11
Heavy Atom Count23
Formal Charge0
Complexity263
SMILES
CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.[Br-]
InChI
InChI=1S/C21H32N.BrH/c1-2-3-4-5-6-7-8-9-10-13-17-22-18-16-20-14-11-12-15-21(20)19-22;/h11-12,14-16,18-19H,2-10,13,17H2,1H3;1H/q+1;/p-1
InChIKey
MSJLMQTXVKCUCD-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Lauryl Isoquinolinium Bromide
CAS: 93-23-2
CID: 7132
Formula: C21H32BrN
MW: 378.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count11
Exact Mass377.17181
Monoisotopic Mass377.17181
Topological Polar Surface Area3.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity263
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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