| CAS Number | 13973-23-4 |
| Catalog Number | AG01FOSE(AGN-PC-0BRAXP) |
| Chemical Name | Ethyl 1-(Hydroxymethyl)propylcarbamate |
| IUPAC Name | ethyl N-(1-hydroxybutan-2-yl)carbamate |
| InChI | InChI=1S/C7H15NO3/c1-3-6(5-9)8-7(10)11-4-2/h6,9H,3-5H2,1-2H3,(H,8,10) |
| InChI Key | NWXGDPDBQOTZRZ-UHFFFAOYSA-N |
| MDL Number | MFCD00085559 |
| Molecular Formula | C7H15NO3 |
| Molecular Weight | 161.1989 |
| NSC Number | 163917 |
| SMILES | CCC(CO)NC(=O)OCC |
| Synonyms | ETHYL 1-(HYDROXYMETHYL)-PROPYLCARBAMATE,
13973-23-4,
ethyl N-(1-hydroxybutan-2-yl)carbamate,
NSC163917,
AC1L6MTD,
AC1Q359J,
AC1Q359K,
SCHEMBL9637270,
DTXSID10304021,
NWXGDPDBQOTZRZ-UHFFFAOYSA-N,
ethyl (1-hydroxybutan-2-yl)carbamate,
AKOS009301472,
ethyl 1-ethyl-2-hydroxy-ethylcarbamate,
MCULE-2772713943,
NSC-163917,
ETHYL-1- PROPYLCARBAMATE,
CID294850,
51170-48-0,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.201g/mol |
| Monoisotopic Mass | 161.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number