| CAS Number | 28118-37-8 |
| Catalog Number | AG01EJSN(AGN-PC-0JNYH7) |
| Chemical Name | 4,4-Dimethylheptanedinitrile |
| IUPAC Name | 4,4-dimethylheptanedinitrile |
| InChI | InChI=1S/C9H14N2/c1-9(2,5-3-7-10)6-4-8-11/h3-6H2,1-2H3 |
| InChI Key | PXAXNOYLUCYRRJ-UHFFFAOYSA-N |
| MDL Number | MFCD25961860 |
| Molecular Formula | C9H14N2 |
| Molecular Weight | 150.2209 |
| NSC Number | 99220 |
| SMILES | CC(CCC#N)(CCC#N)C |
| Synonyms | 4,4-dimethylheptanedinitrile,
28118-37-8,
4,4-dimethyl-heptanedinitrile,
NSC99220,
AC1L6BEZ,
AC1Q4S6F,
NCIOpen2_002043,
CTK1A4294,
DTXSID70294999,
ZINC1654081,
NSC-99220,
J3.557.927C,
AR-1F7938,
CID264224,
28328-46-3,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.225g/mol |
| Monoisotopic Mass | 150.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number