| CAS Number | 634926-63-9 |
| Catalog Number | AG00EPYM(AGN-PC-03HMZJ) |
| Chemical Name | Carbamic acid, [2-(2-propynyloxy)ethyl]-, 1,1-dimethylethyl ester (9CI) |
| IUPAC Name | tert-butyl N-(2-prop-2-ynoxyethyl)carbamate |
| InChI | InChI=1S/C10H17NO3/c1-5-7-13-8-6-11-9(12)14-10(2,3)4/h1H,6-8H2,2-4H3,(H,11,12) |
| InChI Key | POPGBGYTSRQYLK-UHFFFAOYSA-N |
| MDL Number | MFCD22418470 |
| Molecular Formula | C10H17NO3 |
| Molecular Weight | 199.2469 |
| SMILES | C(C#C)OCCNC(OC(C)(C)C)=O |
| Synonyms | O-Proparagyl-N-Boc-ethanolamine,
634926-63-9,
SCHEMBL612182,
CTK8J7435,
POPGBGYTSRQYLK-UHFFFAOYSA-N,
ZINC39091236,
tert-butyl 2-(prop-2-ynyloxy)ethylcarbamate,
A1-09750,
(2-Prop-2-ynyloxyethyl)carbamic acid tert-butyl ester,
(2-Prop-2-ynyloxy-ethyl)-carbamic acid tert-butyl ester,
Carbamicacid,[2- ethyl]-,1,1-dimethylethylester,
Carbamic acid, [2-(2-propynyloxy)ethyl]-, 1,1-dimethylethyl ester (9CI),
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.25g/mol |
| Monoisotopic Mass | 199.121g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number