| CAS Number | 1529782-10-2 |
| Catalog Number | AG00IKRV(AGN-PC-0WNH2Z) |
| Chemical Name | N-(3-methylenecyclohexyl)-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-(3-methylidenecyclohexyl)carbamate |
| InChI | InChI=1S/C12H21NO2/c1-9-6-5-7-10(8-9)13-11(14)15-12(2,3)4/h10H,1,5-8H2,2-4H3,(H,13,14) |
| InChI Key | MWIJEJSTDCDUTG-UHFFFAOYSA-N |
| MDL Number | MFCD30471671 |
| Molecular Formula | C12H21NO2 |
| Molecular Weight | 211.3006 |
| SMILES | C=C1CCCC(NC(=O)OC(C)(C)C)C1 |
| Synonyms | 1529782-10-2,
N-(3-Methylenecyclohexyl)-, 1,1-dimethylethyl ester,
tert-Butyl (3-methylenecyclohexyl)carbamate,
SCHEMBL15542249,
MWIJEJSTDCDUTG-UHFFFAOYSA-N,
MFCD30471671,
1-(Boc-amino)-3-methylenecyclohexane,
AKOS030628677,
AS-53269,
CS-0048861,
KS-00000854,
(3-Methylene-cyclohexyl)-carbamic acid tert-butyl ester,
N-?(3-?methylenecyclohexyl)?-?, 1,?1-?dimethylethyl ester,
TERT-BUTYL N-(3-METHYLIDENECYCLOHEXYL)CARBAMATE,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.305g/mol |
| Monoisotopic Mass | 211.157g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number