| CAS Number | 365441-87-8 |
| Catalog Number | AG00CQKM(AGN-PC-008D6X) |
| Chemical Name | 1,1-Dimethylethyl N-(2-methylpropyl)carbamate |
| IUPAC Name | tert-butyl N-(2-methylpropyl)carbamate |
| InChI | InChI=1S/C9H19NO2/c1-7(2)6-10-8(11)12-9(3,4)5/h7H,6H2,1-5H3,(H,10,11) |
| InChI Key | TXDOUCCKKNGHST-UHFFFAOYSA-N |
| MDL Number | MFCD18968715 |
| Molecular Formula | C9H19NO2 |
| Molecular Weight | 173.2527 |
| SMILES | CC(CNC(OC(C)(C)C)=O)C |
| Synonyms | tert-butyl isobutylcarbamate,
365441-87-8,
Tert-butyl N-(2-methylpropyl)carbamate,
SCHEMBL6563149,
Carbamic acid, (2-methylpropyl)-, 1,1-dimethylethyl ester (9CI),
ZINC39094307,
Isobutylcarbamic acid tert-butyl ester,
AKOS013101159,
FT-0713378,
CID11401043,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.256g/mol |
| Monoisotopic Mass | 173.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number