| CAS Number | 125017-21-2 |
| Catalog Number | AG01AJQS(AGN-PC-03I1B3) |
| Chemical Name | 4-bromo-N-hexylaniline |
| IUPAC Name | 4-bromo-N-hexylaniline |
| InChI | InChI=1S/C12H18BrN/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9,14H,2-5,10H2,1H3 |
| InChI Key | CJMPJDXEPCOGTA-UHFFFAOYSA-N |
| MDL Number | MFCD11177851 |
| Molecular Formula | C12H18BrN |
| Molecular Weight | 256.1820 |
| SMILES | CCCCCCNC1=CC=C(Br)C=C1 |
| Synonyms | 4-bromo-N-hexylaniline,
125017-21-2,
4-bromo-N-hexylBenzenamine,
N-Hexyl-4-bromoaniline,
SCHEMBL5604993,
CJMPJDXEPCOGTA-UHFFFAOYSA-N,
ZINC20358939,
AKOS009049938,
MCULE-2110193107,
NE42222,
FT-0733490,
EN300-81733,
Z1694645328,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.187g/mol |
| Monoisotopic Mass | 255.062g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number