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1215511-11-7 | N-Methyl-4-aminobutyric Acid-d3
CAS No: 1215511-11-7 Catalog No: AG00159D MDL No:
Product Description
Catalog Number:
AG00159D
Chemical Name:
N-Methyl-4-aminobutyric Acid-d3
CAS Number:
1215511-11-7
Molecular Formula:
C5H8D3NO2
Molecular Weight:
120.1648
IUPAC Name:
4-(trideuteriomethylamino)butanoic acid
InChI:
InChI=1S/C5H11NO2/c1-6-4-2-3-5(7)8/h6H,2-4H2,1H3,(H,7,8)/i1D3
InChI Key:
AOKCDAVWJLOAHG-FIBGUPNXSA-N
SMILES:
OC(=O)CCCNC([2H])([2H])[2H]
Properties
Complexity:
72.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.098g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
3
Molecular Weight:
120.166g/mol
Monoisotopic Mass:
120.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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