| CAS Number | 197358-56-8 |
| Catalog Number | AG00AWK8(AGN-PC-03BS98) |
| Chemical Name | Carbamic acid, (4-oxopentyl)-, 1,1-dimethylethyl ester (9CI) |
| IUPAC Name | tert-butyl N-(4-oxopentyl)carbamate |
| InChI | InChI=1S/C10H19NO3/c1-8(12)6-5-7-11-9(13)14-10(2,3)4/h5-7H2,1-4H3,(H,11,13) |
| InChI Key | TVPVDPOAWGNEJW-UHFFFAOYSA-N |
| MDL Number | MFCD27957633 |
| Molecular Formula | C10H19NO3 |
| Molecular Weight | 201.2628 |
| SMILES | O=C(NCCCC(C)=O)OC(C)(C)C |
| Synonyms | 197358-56-8,
tert-butyl N-(4-oxopentyl)carbamate,
tert-Butyl (4-oxopentyl)carbamate,
SCHEMBL5312822,
TVPVDPOAWGNEJW-UHFFFAOYSA-N,
Carbamic acid, (4-oxopentyl)-, 1,1-dimethylethyl ester (9CI),
ZINC39091340,
AKOS027401875,
FT-0713512,
(4-Oxo-pentyl)carbamic acid tert-butyl ester,
Z2161028164,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.266g/mol |
| Monoisotopic Mass | 201.136g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number