3-Methylhexane-d16

Base Information

• Chemical Name: 3-Methylhexane-d16
• CAS No.: 284664-84-2
• Molecular Formula: C7H16
• Molecular Weight: 116.30
• European Community (EC) Number: 693-193-1
• DSSTox Substance ID: DTXSID90583913
• Mol file: 284664-84-2.mol

Synonyms:3-Methylhexane-d16;284664-84-2;1,1,1,2,2,3,3,4,5,5,6,6,6-tridecadeuterio-4-(trideuteriomethyl)hexane;DTXSID90583913;3-Methylhexane-d16, 98 atom % D;3-(~2~H_3_)Methyl(~2~H_13_)hexane

Chemical Property of 3-Methylhexane-d16

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 116.225628446
• Heavy Atom Count: 7
• Complexity: 31

Purity/Quality:

99%min ^*data from raw suppliers

3-METHYLHEXANE [D16] 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)CC
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])[2H]