2-Pyrrolidinecarbonitrile Hydrochloride - CAS 1199773-80-2
Catalog: |
BB004692 |
Product Name: |
2-Pyrrolidinecarbonitrile Hydrochloride |
CAS: |
1199773-80-2 |
Synonyms: |
2-pyrrolidinecarbonitrile;hydrochloride; pyrrolidine-2-carbonitrile;hydrochloride |
IUPAC Name: | pyrrolidine-2-carbonitrile;hydrochloride |
Description: | 2-Pyrrolidinecarbonitrile Hydrochloride (CAS# 1199773-80-2) is a useful research chemical. |
Molecular Weight: | 132.59 |
Molecular Formula: | C5H9ClN2 |
Canonical SMILES: | C1CC(NC1)C#N.Cl |
InChI: | InChI=1S/C5H8N2.ClH/c6-4-5-2-1-3-7-5;/h5,7H,1-3H2;1H |
InChI Key: | QSJTUXCBPTVKQZ-UHFFFAOYSA-N |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD09608139 |
LogP: | 1.39278 |
Publication Number | Title | Priority Date |
US-2021147386-A1 | Pyrrolidine and piperidine compounds | 20191106 |
WO-2021090245-A1 | Pyrrolidine and piperidine compounds | 20191106 |
WO-2020132661-A2 | Inhibitors of fibroblast activation protein | 20181221 |
EP-3898654-A2 | Inhibitors of fibroblast activation protein | 20181221 |
EP-3650447-A1 | New selective modulators of insect nicotinic acetylcholine receptors | 20181108 |
Complexity: | 99.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.045426 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.045426 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 35.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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