| CAS Number | 1314915-82-6 |
| Catalog Number | AG01B86K |
| Chemical Name | 5-Amino-4,4-dimethylpentanenitrile |
| IUPAC Name | 5-amino-4,4-dimethylpentanenitrile |
| InChI | InChI=1S/C7H14N2/c1-7(2,6-9)4-3-5-8/h3-4,6,9H2,1-2H3 |
| InChI Key | DOTRITKLFCDSOA-UHFFFAOYSA-N |
| MDL Number | MFCD19206604 |
| Molecular Formula | C7H14N2 |
| Molecular Weight | 126.1995 |
| SMILES | CC(CCC#N)(CN)C |
| Synonyms | 5-amino-4,4-dimethylpentanenitrile,
1314915-82-6,
SCHEMBL14996030,
ZINC88189495,
AKOS006362287,
|
| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.203g/mol |
| Monoisotopic Mass | 126.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number