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N, N-Dimethylethylenediamine-D4

CAT: 0127-DE2068Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
1818845-47-4
Purity
98%
Smiles
[2H]C([2H])N(C([2H])[2H])CCN

Chemical Information

N,N-Dimethylethylenediamine-d4
CAS Number1818845-47-4
PubChem CID122214453
IUPAC NameN',N'-bis(dideuteriomethyl)ethane-1,2-diamine
Molecular FormulaC4H12N2
Molecular Weight92.18
XLogP-0.7
Topological Polar Surface Area29.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity26
SMILES
[2H]C([2H])N(CCN)C([2H])[2H]
InChI
InChI=1S/C4H12N2/c1-6(2)4-3-5/h3-5H2,1-2H3/i1D2,2D2
InChIKey
DILRJUIACXKSQE-LNLMKGTHSA-N
Chemical Structure
2D Structure
2D structure of N,N-Dimethylethylenediamine-d4
CAS: 1818845-47-4
CID: 122214453
Formula: C4H12N2
MW: 92.18
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight92.18
XLogP3-0.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass92.125155375
Monoisotopic Mass92.125155375
Topological Polar Surface Area29.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity26.7
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes