| CAS Number | 152400-87-8 |
| Catalog Number | AG01B257 |
| Chemical Name | 2-(Pyrrolidin-3-yl)acetonitrile hydrochloride |
| IUPAC Name | 2-pyrrolidin-3-ylacetonitrile;hydrochloride |
| InChI | InChI=1S/C6H10N2.ClH/c7-3-1-6-2-4-8-5-6;/h6,8H,1-2,4-5H2;1H |
| InChI Key | DEBPDUMLLQHRCF-UHFFFAOYSA-N |
| MDL Number | MFCD29907317 |
| Molecular Formula | C6H11ClN2 |
| Molecular Weight | 146.6179 |
| SMILES | Cl.N#CCC1CNCC1 |
| Synonyms | 2-(pyrrolidin-3-yl)acetonitrile hydrochloride,
152400-87-8,
SCHEMBL9135214,
DEBPDUMLLQHRCF-UHFFFAOYSA-N,
3-Cyanomethylpyrrolidine Hydrochloride,
F2167-8342,
Z2509351232,
|
| Complexity | 111 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.618g/mol |
| Monoisotopic Mass | 146.061g/mol |
| Rotatable Bond Count | 1 |
| 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