| CAS Number | 62737-41-1 |
| Catalog Number | AG01BJEL(AGN-PC-0NJCVB) |
| Chemical Name | 2-(Dimethylamino)butanenitrile |
| IUPAC Name | 2-(dimethylamino)butanenitrile |
| InChI | InChI=1S/C6H12N2/c1-4-6(5-7)8(2)3/h6H,4H2,1-3H3 |
| InChI Key | CAGISDHALCVYJO-UHFFFAOYSA-N |
| MDL Number | MFCD12064327 |
| Molecular Formula | C6H12N2 |
| Molecular Weight | 112.1729 |
| SMILES | CCC(N(C)C)C#N |
| Synonyms | 2-(Dimethylamino)butanenitrile,
62737-41-1,
Butanenitrile, 2-(dimethylamino)-,
SCHEMBL9308453,
DL-2-dimethylamino-butyronitrile,
CTK2B3442,
DTXSID80502057,
AKOS009985799,
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| Complexity | 98.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.176g/mol |
| Monoisotopic Mass | 112.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number