| CAS Number | 1092292-39-1 |
| Catalog Number | AG00HBB8(AGN-PC-0WRAD2) |
| Chemical Name | 4-Bromo-1-N-isopropylbenzene-1,2-diamine |
| IUPAC Name | 4-bromo-1-N-propan-2-ylbenzene-1,2-diamine |
| InChI | InChI=1S/C9H13BrN2/c1-6(2)12-9-4-3-7(10)5-8(9)11/h3-6,12H,11H2,1-2H3 |
| InChI Key | DBDNOAIUXOODNH-UHFFFAOYSA-N |
| MDL Number | MFCD10692094 |
| Molecular Formula | C9H13BrN2 |
| Molecular Weight | 229.1169 |
| SMILES | CC(NC1=C(N)C=C(Br)C=C1)C |
| Synonyms | 4-Bromo-1-N-isopropylbenzene-1,2-diamine,
1092292-39-1,
4-Bromo-N1-isopropylbenzene-1,2-diamine,
4-bromo-1-N-(propan-2-yl)benzene-1,2-diamine,
SCHEMBL9102892,
DBDNOAIUXOODNH-UHFFFAOYSA-N,
MFCD10692094,
ZINC26513446,
AKOS009235244,
NE45818,
4-bromo-N-1-isopropylbenzene-1,2-diamine,
EN300-45070,
4-bromo-N1-(propan-2-yl)benzene-1,2-diamine,
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| 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
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Certificate of Analysis
Lot Number