| CAS Number | 59255-77-5 |
| Catalog Number | AG00EM1B |
| Chemical Name | diethyl 1,2-phenylenedicarbamate |
| IUPAC Name | tert-butyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate |
| InChI | InChI=1S/C16H24N2O4/c1-15(2,3)21-13(19)17-11-8-7-9-12(10-11)18-14(20)22-16(4,5)6/h7-10H,1-6H3,(H,17,19)(H,18,20) |
| InChI Key | UMIMQVCDCFYAPG-UHFFFAOYSA-N |
| MDL Number | MFCD18252227 |
| Molecular Formula | C16H24N2O4 |
| Molecular Weight | 308.3728 |
| SMILES | CC(OC(=O)NC1C=CC=C(NC(=O)OC(C)(C)C)C=1)(C)C |
| Synonyms | Di-tert-butyl 1,3-phenylenedicarbamate,
59255-77-5,
AC1LC26J,
1,3-Benzenebis(N-carbamic acid), di-t-butyl ester,
UMIMQVCDCFYAPG-UHFFFAOYSA-N,
MFCD18252227,
ZINC140376851,
CS-W000672,
tert-butyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate,
diethyl 1,2-phenylenedicarbamate,
tert-Butyl 1,3-phenylenedicarbamate,
CID546508,
|
| Complexity | 360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.378g/mol |
| Monoisotopic Mass | 308.174g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number