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2-Bromoethylammonium-d4 bromide

CAT: 0804-HY-Y0400SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Y0400SSize:1 mg
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Description
2-Bromoethylammonium-d4 bromide is the deuterium labeled 2-Bromoethylammonium bromide[1].
CAS Number
918633-70-2
Product Name Alternative
N, N-diprop-2-en-1-ylethane-1,2-diamine
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
NC([2H])([2H])C([2H])(Br)[2H].Br
Molecular Formula
C2H3D4Br2N
Molecular Weight
208.92
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

2-Bromoethyl-d4-amine HBr
CAS Number918633-70-2
PubChem CID76974623
IUPAC Name2-bromo-1,1,2,2-tetradeuterioethanamine;hydrobromide
Molecular FormulaC2H7Br2N
Molecular Weight208.92
Topological Polar Surface Area26
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity10
SMILES
[2H]C([2H])(C([2H])([2H])Br)N.Br
InChI
InChI=1S/C2H6BrN.BrH/c3-1-2-4;/h1-2,4H2;1H/i1D2,2D2;
InChIKey
WJAXXWSZNSFVNG-PBCJVBLFSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromoethyl-d4-amine HBr
CAS: 918633-70-2
CID: 76974623
Formula: C2H7Br2N
MW: 208.92
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.92
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass208.91758
Monoisotopic Mass206.91963
Topological Polar Surface Area26 Ų
Heavy Atom Count5
Formal Charge0
Complexity10
Isotope Atom Count4
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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