Home Carboxys Methan-d3-aminium, N-(carboxymethyl)-N,N-di(methyl-d3)-, chloride (9CI)

Methan-d3-aminium, N-(carboxymethyl)-N,N-di(methyl-d3)-, chloride (9CI)

CAS No.:
285979-85-3
Catalog Number:
AG002VS1
Molecular Formula:
C5H3ClD9NO2
Molecular Weight:
162.6627
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Product Description
Catalog Number:
AG002VS1
Chemical Name:
Methan-d3-aminium, N-(carboxymethyl)-N,N-di(methyl-d3)-, chloride (9CI)
CAS Number:
285979-85-3
Molecular Formula:
C5H3ClD9NO2
Molecular Weight:
162.6627
MDL Number:
MFCD01075461
IUPAC Name:
2-[tris(trideuteriomethyl)azaniumyl]acetate;hydrochloride
InChI:
InChI=1S/C5H11NO2.ClH/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H/i1D3,2D3,3D3;
InChI Key:
HOPSCVCBEOCPJZ-KYRNGWDOSA-N
SMILES:
C([2H])([N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])CC(=O)O)([2H])[2H].[Cl-]
Properties
Complexity:
87.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.112g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
9  
Molecular Weight:
162.661g/mol
Monoisotopic Mass:
162.112g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties