| CAS Number | 51605-98-2 |
| Catalog Number | AG01EWAX(AGN-PC-3H4846) |
| Chemical Name | 2-Bromo-4-Butylaniline |
| IUPAC Name | 2-bromo-4-butylaniline |
| InChI | InChI=1S/C10H14BrN/c1-2-3-4-8-5-6-10(12)9(11)7-8/h5-7H,2-4,12H2,1H3 |
| InChI Key | WJKALLIVRCQVOH-UHFFFAOYSA-N |
| MDL Number | MFCD11845937 |
| Molecular Formula | C10H14BrN |
| Molecular Weight | 228.1289 |
| SMILES | Nc1c(cc(cc1)CCCC)Br |
| Synonyms | 2-bromo-4-butylaniline,
2-Bromo-4-n-butylaniline,
51605-98-2,
2-bromo-4-(n-butyl)aniline,
SCHEMBL841230,
WJKALLIVRCQVOH-UHFFFAOYSA-N,
STL484267,
ZINC26469452,
AKOS017560848,
MCULE-4328421054,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.133g/mol |
| Monoisotopic Mass | 227.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number