| CAS Number | 774225-35-3 |
| Catalog Number | AG00ICUR(AGN-PC-0WG47W) |
| Chemical Name | Tert-Butyl N-[(4-Tert-Butylphenyl)(Cyano)Methyl]Carbamate |
| IUPAC Name | tert-butyl N-[(4-tert-butylphenyl)-cyanomethyl]carbamate |
| InChI | InChI=1S/C17H24N2O2/c1-16(2,3)13-9-7-12(8-10-13)14(11-18)19-15(20)21-17(4,5)6/h7-10,14H,1-6H3,(H,19,20) |
| InChI Key | NHRAQTVNXGEHMF-UHFFFAOYSA-N |
| MDL Number | MFCD24476515 |
| Molecular Formula | C17H24N2O2 |
| Molecular Weight | 288.3847 |
| SMILES | CC(OC(NC(C1=CC=C(C(C)(C)C)C=C1)C#N)=O)(C)C |
| Synonyms | 774225-35-3,
TERT-BUTYL N-[(4-TERT-BUTYLPHENYL)(CYANO)METHYL]CARBAMATE,
tert-Butyl ((4-(tert-butyl)phenyl)(cyano)methyl)carbamate,
MFCD24476515,
TZ000708,
CS-0036644,
t-Butyl N-[(4-tert-butylphenyl)(cyano)methyl]carbamate,
CID11437694,
tert-butyl N-[(4-tert-butylphenyl)-cyanomethyl]carbamate,
Tert-butyl N-[cyano-(4-tert-butylphenyl)methyl]carbamate,
|
| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.391g/mol |
| Monoisotopic Mass | 288.184g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 62.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number