| CAS Number | 732976-86-2 |
| Catalog Number | AG005P6Z(AGN-PC-03KV2M) |
| Chemical Name | Azetidine-3-carbonitrile |
| IUPAC Name | azetidine-3-carbonitrile |
| InChI | InChI=1S/C4H6N2/c5-1-4-2-6-3-4/h4,6H,2-3H2 |
| InChI Key | PBIUUJCEMUAWJJ-UHFFFAOYSA-N |
| MDL Number | MFCD07787255 |
| Molecular Formula | C4H6N2 |
| Molecular Weight | 82.1038 |
| SMILES | N#CC1CNC1 |
| Synonyms | Azetidine-3-carbonitrile,
732976-86-2,
3-Azetidinecarbonitrile,
3-cyanoazetidine,
3-AZETIDINECARBONITEILE,
CTK8B7380,
DTXSID70622677,
PBIUUJCEMUAWJJ-UHFFFAOYSA-N,
ANW-57148,
MFCD07787255,
ZINC16696899,
AKOS006338100,
AJ-69190,
DB-027542,
TC-145893,
4CH-010090,
FT-0766011,
ST24030097,
F1907-0847,
|
| Complexity | 85 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 82.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 82.106g/mol |
| Monoisotopic Mass | 82.053g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number