| CAS Number | 1955514-32-5 |
| Catalog Number | AG01C2JE |
| Chemical Name | (4-Bromo-3-methylphenyl)methanamine hydrochloride |
| IUPAC Name | (4-bromo-3-methylphenyl)methanamine;hydrochloride |
| InChI | InChI=1S/C8H10BrN.ClH/c1-6-4-7(5-10)2-3-8(6)9;/h2-4H,5,10H2,1H3;1H |
| InChI Key | ZKXAYXQUEHWTIC-UHFFFAOYSA-N |
| MDL Number | MFCD11045193 |
| Molecular Formula | C8H11BrClN |
| Molecular Weight | 236.5366 |
| SMILES | Cl.BrC1=C(C=C(C=C1)CN)C |
| Synonyms | (4-bromo-3-methylphenyl)methanamine hydrochloride,
1955514-32-5,
4-BROMO-3-METHYLBENZYLAMINE HCL,
SCHEMBL6773779,
K-4733,
(4-BROMO-3-METHYLPHENYL)METHANAMINE HCL,
Z2293605627,
149104-92-7,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.537g/mol |
| Monoisotopic Mass | 234.976g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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