| CAS Number | 1803604-82-1 |
| Catalog Number | AG01B96F |
| Chemical Name | 3-(dimethylamino)azetidine-3-carbonitrile dihydrochloride |
| IUPAC Name | 3-(dimethylamino)azetidine-3-carbonitrile;dihydrochloride |
| InChI | InChI=1S/C6H11N3.2ClH/c1-9(2)6(3-7)4-8-5-6;;/h8H,4-5H2,1-2H3;2*1H |
| InChI Key | DNCDMORPQRHUMP-UHFFFAOYSA-N |
| MDL Number | MFCD28348271 |
| Molecular Formula | C6H13Cl2N3 |
| Molecular Weight | 198.0935 |
| SMILES | Cl.Cl.CN(C1(C#N)CNC1)C |
| Synonyms | 3-(dimethylamino)azetidine-3-carbonitrile dihydrochloride,
1803604-82-1,
EN300-203874,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.091g/mol |
| Monoisotopic Mass | 197.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 39.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number