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13183-67-0 | Butane-1,1,1,4,4,4-d6 (7CI,8CI,9CI)
CAS No: 13183-67-0 Catalog No: AG000ZSY MDL No:
Product Description
Catalog Number:
AG000ZSY
Chemical Name:
Butane-1,1,1,4,4,4-d6 (7CI,8CI,9CI)
CAS Number:
13183-67-0
Molecular Formula:
C4H4D6
Molecular Weight:
64.1592
IUPAC Name:
1,1,1,4,4,4-hexadeuteriobutane
InChI:
InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3/i1D3,2D3
InChI Key:
IJDNQMDRQITEOD-WFGJKAKNSA-N
SMILES:
C([2H])(CCC([2H])([2H])[2H])([2H])[2H]
Properties
Complexity:
2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
64.116g/mol
Formal Charge:
0
Heavy Atom Count:
4
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
6
Molecular Weight:
64.161g/mol
Monoisotopic Mass:
64.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Dynamics of H and D abstraction in the reaction of Cl atom with butane-1,1,1,4,4,4-d6. | Physical chemistry chemical physics : PCCP 20110514 |
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