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Home Aminos 1-(2-Bromo-2-carbamoylethyl)-4-(dimethylamino)pyridin-1-ium bromide

1-(2-Bromo-2-carbamoylethyl)-4-(dimethylamino)pyridin-1-ium bromide

CAS No.:
93664-47-2
Catalog Number:
AG01EZDJ
Molecular Formula:
C10H15Br2N3O
Molecular Weight:
353.0536
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
tech
1 week
United States
$294
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Product Description
Catalog Number:
AG01EZDJ
Chemical Name:
1-(2-Bromo-2-carbamoylethyl)-4-(dimethylamino)pyridin-1-ium bromide
CAS Number:
93664-47-2
Molecular Formula:
C10H15Br2N3O
Molecular Weight:
353.0536
MDL Number:
MFCD00957279
IUPAC Name:
2-bromo-3-[4-(dimethylamino)pyridin-1-ium-1-yl]propanamide;bromide
InChI:
InChI=1S/C10H14BrN3O.BrH/c1-13(2)8-3-5-14(6-4-8)7-9(11)10(12)15;/h3-6,9H,7H2,1-2H3,(H-,12,15);1H
InChI Key:
ODLPOGJFQSEFIM-UHFFFAOYSA-N
SMILES:
BrC(C(=O)N)C[n+]1ccc(cc1)N(C)C.[Br-]
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.956g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
353.058g/mol
Monoisotopic Mass:
350.958g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties