| CAS Number | 80948-74-9 |
| Catalog Number | AG00ID5C |
| Chemical Name | (4-Bromo-3-methylphenyl)methanamine |
| IUPAC Name | 4-bromo-N,3-dimethylaniline |
| InChI | InChI=1S/C8H10BrN/c1-6-5-7(10-2)3-4-8(6)9/h3-5,10H,1-2H3 |
| InChI Key | KTOXSFXMKFCJGE-UHFFFAOYSA-N |
| MDL Number | MFCD10000412 |
| Molecular Formula | C8H10BrN |
| Molecular Weight | 200.0757 |
| SMILES | BrC1=C(C=C(C=C1)NC)C |
| Synonyms | 4-bromo-n,3-dimethylaniline,
80948-74-9,
4-Bromo-3,N-dimethylaniline,
4-bromo-N,3-dimethylbenzenamine,
SCHEMBL5840849,
KTOXSFXMKFCJGE-UHFFFAOYSA-N,
KS-00002X0H,
MFCD10000412,
ZINC20045386,
AKOS000256113,
FS-2362,
MCULE-4901162940,
NE44548,
(4-Bromo-3-methyl-phenyl)-methyl-amine,
EN300-79813,
Z1269702276,
(4-bromo-3-methylphenyl)methanamine,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.079g/mol |
| Monoisotopic Mass | 199g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number