| CAS Number | 1249234-21-6 |
| Catalog Number | AG00HHUB(AGN-PC-0WNOP3) |
| Chemical Name | 2-Bromo-1-N-tert-butylbenzene-1,4-diamine |
| IUPAC Name | 2-bromo-1-N-tert-butylbenzene-1,4-diamine |
| InChI | InChI=1S/C10H15BrN2/c1-10(2,3)13-9-5-4-7(12)6-8(9)11/h4-6,13H,12H2,1-3H3 |
| InChI Key | LGDOOPDSFMBZII-UHFFFAOYSA-N |
| MDL Number | MFCD16085357 |
| Molecular Formula | C10H15BrN2 |
| Molecular Weight | 243.1435 |
| SMILES | Nc1ccc(c(c1)Br)NC(C)(C)C |
| Synonyms | 2-bromo-1-N-tert-butylbenzene-1,4-diamine,
1249234-21-6,
2-Bromo-N1-(tert-butyl)benzene-1,4-diamine,
MFCD16085357,
ZINC49844127,
AKOS010987206,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.148g/mol |
| Monoisotopic Mass | 242.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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