| CAS Number | 1803596-52-2 |
| Catalog Number | AG01BBS1 |
| Chemical Name | 2-Amino-3,3-dimethylbutanenitrile hydrochloride |
| IUPAC Name | 2-amino-3,3-dimethylbutanenitrile;hydrochloride |
| InChI | InChI=1S/C6H12N2.ClH/c1-6(2,3)5(8)4-7;/h5H,8H2,1-3H3;1H |
| InChI Key | SZKQPFQSCMZWEG-UHFFFAOYSA-N |
| MDL Number | MFCD28506106 |
| Molecular Formula | C6H13ClN2 |
| Molecular Weight | 148.6338 |
| SMILES | CC(C)(C)C(N)C#N.[H]Cl |
| Synonyms | 2-amino-3,3-dimethylbutanenitrile hydrochloride,
1803596-52-2,
SCHEMBL17646515,
SZKQPFQSCMZWEG-UHFFFAOYSA-N,
2-amino-3,3-dimethyl-butyronitrile hydrochloride,
|
| Complexity | 112 |
| 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 | 1 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number