| CAS Number | 438533-54-1 |
| Catalog Number | AG00I8CX(AGN-PC-0NHB4H) |
| Chemical Name | N,N'-Bis(tert-butoxycarbonyl)-o-phenylenediamine |
| IUPAC Name | tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate |
| InChI | InChI=1S/C16H24N2O4/c1-15(2,3)21-13(19)17-11-9-7-8-10-12(11)18-14(20)22-16(4,5)6/h7-10H,1-6H3,(H,17,19)(H,18,20) |
| InChI Key | ODPWRGXKKBXCIT-UHFFFAOYSA-N |
| MDL Number | MFCD24465598 |
| Molecular Formula | C16H24N2O4 |
| Molecular Weight | 308.3728 |
| SMILES | C1(=CC=CC=C1NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C |
| Synonyms | 438533-54-1,
Di-tert-butyl 1,2-phenylenedicarbamate,
N,N'-Bis(tert-butoxycarbonyl)-o-phenylenediamine,
SCHEMBL2880191,
MFCD24465598,
ZINC38341834,
1,2-Bis(tert-butoxycarbonylamino)benzene,
N,N'-Bis(t-butoxycarbonyl)-o-phenylenediamine,
Carbamic acid, 1,2-phenylenebis-, bis(1,1-dimethylethyl) ester,
CID11185922,
Tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate,
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| Complexity | 358 |
| 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 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number