| CAS Number | 1038408-35-3 |
| Catalog Number | AG009536(AGN-PC-0CW9GF) |
| Chemical Name | 1,2-BenzenediaMine, 4-broMo-N2-(1-Methylethyl)- |
| IUPAC Name | 4-bromo-2-N-propan-2-ylbenzene-1,2-diamine |
| InChI | InChI=1S/C9H13BrN2/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-6,12H,11H2,1-2H3 |
| InChI Key | OXYJCZYMCDLXRM-UHFFFAOYSA-N |
| MDL Number | MFCD12923357 |
| Molecular Formula | C9H13BrN2 |
| Molecular Weight | 229.1169 |
| SMILES | NC1=CC=C(Br)C=C1NC(C)C |
| Synonyms | 5-Bromo-N1-isopropylbenzene-1,2-diamine,
1038408-35-3,
SCHEMBL8200994,
DTXSID30731916,
ZINC83730623,
AKOS014678704,
5-Bromo-N1-isopropyl-1,2-benzenediamine,
SY216525,
AJ-126038,
4-bromo-2-N-propan-2-ylbenzene-1,2-diamine,
MFCD12923357 (95%),
5-bromo-N1-(propan-2-yl)benzene-1,2-diamine,
4-Bromo-N~2~-(propan-2-yl)benzene-1,2-diamine,
1,2-BenzenediaMine, 4-broMo-N2-(1-Methylethyl)-,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.121g/mol |
| Monoisotopic Mass | 228.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number