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Cholamine Bromide Hydrobromide-15N

CAT: 0572-TRC-C433461-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C433461-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2221939-76-8
Hazard Statement
No Data Available
Smiles
Br.[Br-].C[N+](C)(C)CC[15NH2]
Molecular Formula
C5 H15 15N N . HBr . Br
Molecular Weight
264.995
InChI
InChI=1S/C5H15N2.2BrH/c1-7(2,3)5-4-6;;/h4-6H2,1-3H3;2*1H/q+1;;/p-1/i6+1;;
Additionnal Information
IUPAC name: 2-(15N)azanylethyl(trimethyl)azanium;bromide;hydrobromide
Shipping Conditions
Room Temperature

Chemical Information

Cholamine Bromide Hydrobromide-15N
CAS Number2221939-76-8
PubChem CID169436449
IUPAC Name2-(15N)azanylethyl(trimethyl)azanium;bromide;hydrobromide
Molecular FormulaC5H16Br2N2
Molecular Weight265.00
Topological Polar Surface Area26
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity44
SMILES
C[N+](C)(C)CC[15NH2].Br.[Br-]
InChI
InChI=1S/C5H15N2.2BrH/c1-7(2,3)5-4-6;;/h4-6H2,1-3H3;2*1H/q+1;;/p-1/i6+1;;
InChIKey
NXHOZHHNVARBSS-SNHBFGBXSA-M
Chemical Structure
2D Structure
2D structure of Cholamine Bromide Hydrobromide-15N
CAS: 2221939-76-8
CID: 169436449
Formula: C5H16Br2N2
MW: 265.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight265.00
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass264.96301
Monoisotopic Mass262.96506
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity44.5
Isotope Atom Count1
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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