Home Aminos Isoquinolinium, 2-(2-amino-2-oxoethyl)-, chloride

Isoquinolinium, 2-(2-amino-2-oxoethyl)-, chloride

CAS No.:
78572-48-2
Catalog Number:
AG0059H0
Molecular Formula:
C11H11ClN2O
Molecular Weight:
222.6708
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
50mg
96%
1 week
United States
$274
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Product Description
Catalog Number:
AG0059H0
Chemical Name:
Isoquinolinium, 2-(2-amino-2-oxoethyl)-, chloride
CAS Number:
78572-48-2
Molecular Formula:
C11H11ClN2O
Molecular Weight:
222.6708
MDL Number:
MFCD00956769
IUPAC Name:
2-isoquinolin-2-ium-2-ylacetamide;chloride
InChI:
InChI=1S/C11H10N2O.ClH/c12-11(14)8-13-6-5-9-3-1-2-4-10(9)7-13;/h1-7H,8H2,(H-,12,14);1H
InChI Key:
XUTSFIOGKXQLCO-UHFFFAOYSA-N
SMILES:
NC(=O)C[n+]1ccc2c(c1)cccc2.[Cl-]
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.056g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.672g/mol
Monoisotopic Mass:
222.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties