| CAS Number | 128372-98-5 |
| Catalog Number | AG00HRSP(AGN-PC-0WG48G) |
| Chemical Name | tert-Butyl (6-oxoheptyl)carbamate |
| IUPAC Name | tert-butyl N-(6-oxoheptyl)carbamate |
| InChI | InChI=1S/C12H23NO3/c1-10(14)8-6-5-7-9-13-11(15)16-12(2,3)4/h5-9H2,1-4H3,(H,13,15) |
| InChI Key | XSMVDURNINETJM-UHFFFAOYSA-N |
| MDL Number | MFCD24468362 |
| Molecular Formula | C12H23NO3 |
| Molecular Weight | 229.3159 |
| SMILES | CC(CCCCCNC(OC(C)(C)C)=O)=O |
| Synonyms | tert-butyl (6-oxoheptyl)carbamate,
128372-98-5,
tert-butyl N-(6-oxoheptyl)carbamate,
SCHEMBL3209829,
t-Butyl (6-oxoheptyl)carbamate,
tert-butyl(6-oxoheptyl)carbamate,
XSMVDURNINETJM-UHFFFAOYSA-N,
MFCD24468362,
AKOS030628122,
ZINC168041180,
7-(tert-Butoxycarbonylamino)-2-heptanone,
CS-0036220,
(6-Oxo-heptyl)-carbamic acid tert-butyl ester,
A1-07454,
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| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.32g/mol |
| Monoisotopic Mass | 229.168g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number