| CAS Number | 1250342-90-5 |
| Catalog Number | AG01BD15(AGN-PC-0WOUI1) |
| Chemical Name | 2-(3,3-dimethylmorpholin-4-yl)acetonitrile |
| IUPAC Name | 2-(3,3-dimethylmorpholin-4-yl)acetonitrile |
| InChI | InChI=1S/C8H14N2O/c1-8(2)7-11-6-5-10(8)4-3-9/h4-7H2,1-2H3 |
| InChI Key | YQSPMVHAZWELIC-UHFFFAOYSA-N |
| MDL Number | MFCD14664965 |
| Molecular Formula | C8H14N2O |
| Molecular Weight | 154.2096 |
| SMILES | CC1(N(CC#N)CCOC1)C |
| Synonyms | 2-(3,3-dimethylmorpholin-4-yl)acetonitrile,
1250342-90-5,
ZINC42462045,
AKOS010693581,
MCULE-1090039085,
NE53945,
Z821760578,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.213g/mol |
| Monoisotopic Mass | 154.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number