| CAS Number | 112799-20-9 |
| Catalog Number | AG01AF8M(AGN-PC-00NVES) |
| Chemical Name | 4-(Pyrrolidin-1-yl)oxane-4-carbonitrile |
| IUPAC Name | 4-pyrrolidin-1-yloxane-4-carbonitrile |
| InChI | InChI=1S/C10H16N2O/c11-9-10(3-7-13-8-4-10)12-5-1-2-6-12/h1-8H2 |
| InChI Key | HCBNNXSNPDALJJ-UHFFFAOYSA-N |
| MDL Number | MFCD12064552 |
| Molecular Formula | C10H16N2O |
| Molecular Weight | 180.2468 |
| SMILES | N#CC1(N2CCCC2)CCOCC1 |
| Synonyms | 4-(pyrrolidin-1-yl)oxane-4-carbonitrile,
112799-20-9,
MFCD12064552,
ZINC37355559,
AKOS009987780,
MCULE-3328347825,
NE26520,
4-Pyrrolidin-1-yltetrahydro-2H-pyran-4-carbonitrile,
Z1824511411,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.251g/mol |
| Monoisotopic Mass | 180.126g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number