| CAS Number | 7019-12-7 |
| Catalog Number | AG01EX0Z(AGN-PC-00JQ5E) |
| Chemical Name | 1-ethoxy-2-isocyanatoethane |
| IUPAC Name | 1-ethoxy-2-isocyanatoethane |
| InChI | InChI=1S/C5H9NO2/c1-2-8-4-3-6-5-7/h2-4H2,1H3 |
| InChI Key | BPMWGYVGVKSICP-UHFFFAOYSA-N |
| MDL Number | MFCD18269620 |
| Molecular Formula | C5H9NO2 |
| Molecular Weight | 115.1305 |
| SMILES | CCOCCN=C=O |
| Synonyms | 1-Ethoxy-2-isocyanatoethane,
7019-12-7,
ZINC62821959,
AKOS012410908,
2-ethoxyethyl isocyanate,
Ethane, 1-ethoxy-2-isocyanato-,
ethoxyethyl isocyanate,
beta-ethoxyethyl isocyanate,
SCHEMBL11244056,
CTK2H5194,
DTXSID30475888,
BPMWGYVGVKSICP-UHFFFAOYSA-N,
|
| Complexity | 86.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 115.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 115.132g/mol |
| Monoisotopic Mass | 115.063g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number