| CAS Number | 2126160-96-9 |
| Catalog Number | AG01E7C9 |
| Chemical Name | 2-(ethylamino)butanenitrile hydrochloride |
| IUPAC Name | 2-(ethylamino)butanenitrile;hydrochloride |
| InChI | InChI=1S/C6H12N2.ClH/c1-3-6(5-7)8-4-2;/h6,8H,3-4H2,1-2H3;1H |
| InChI Key | OSFIALBHIKKUSI-UHFFFAOYSA-N |
| MDL Number | MFCD30752447 |
| Molecular Formula | C6H13ClN2 |
| Molecular Weight | 148.6338 |
| SMILES | Cl.CCNC(C#N)CC |
| Synonyms | 2-(Ethylamino)butanenitrile hydrochloride,
2126160-96-9,
|
| Complexity | 89.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.634g/mol |
| Monoisotopic Mass | 148.077g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number