| CAS Number | 1416229-07-6 |
| Catalog Number | AG01BJKV(AGN-PC-0WOM4J) |
| Chemical Name | tert-butyl 2-ethynylmorpholine-4-carboxylate |
| IUPAC Name | tert-butyl 2-ethynylmorpholine-4-carboxylate |
| InChI | InChI=1S/C11H17NO3/c1-5-9-8-12(6-7-14-9)10(13)15-11(2,3)4/h1,9H,6-8H2,2-4H3 |
| InChI Key | JBOKXNRQCWCOJH-UHFFFAOYSA-N |
| MDL Number | MFCD28964832 |
| Molecular Formula | C11H17NO3 |
| Molecular Weight | 211.2576 |
| SMILES | CC(OC(N1CC(C#C)OCC1)=O)(C)C |
| Synonyms | tert-butyl 2-ethynylmorpholine-4-carboxylate,
1416229-07-6,
4-morpholinecarboxylic acid,2-ethynyl-,1,1-dimethyl ethyl ester,
SCHEMBL15920687,
JBOKXNRQCWCOJH-UHFFFAOYSA-N,
AKOS025296267,
DA-45145,
CS-0078476,
FT-0741074,
F2147-6726,
4-MORPHOLINECARBOXYLIC ACID, 2-ETHYNYL-, 1,1-DIMETHYLETHYL ESTER,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.261g/mol |
| Monoisotopic Mass | 211.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number