| CAS Number | 808769-14-4 |
| Catalog Number | AG019PSG(AGN-PC-0UI2XH) |
| Chemical Name | 1-(3-Bromophenyl)-2-methylpropan-2-amine |
| IUPAC Name | 1-(3-bromophenyl)-2-methylpropan-2-amine |
| InChI | InChI=1S/C10H14BrN/c1-10(2,12)7-8-4-3-5-9(11)6-8/h3-6H,7,12H2,1-2H3 |
| InChI Key | VUJANHVNFQTFTH-UHFFFAOYSA-N |
| MDL Number | MFCD11641608 |
| Molecular Formula | C10H14BrN |
| Molecular Weight | 228.1289 |
| SMILES | CC(N)(C)CC1=CC=CC(Br)=C1 |
| Synonyms | 1-(3-bromophenyl)-2-methylpropan-2-amine,
808769-14-4,
SCHEMBL2456214,
VUJANHVNFQTFTH-UHFFFAOYSA-N,
ZINC37246947,
AKOS008129065,
AB64464,
MCULE-3438220646,
NE43737,
2-(3-Bromophenyl)-1,1-dimethylethylamine,
EN300-86332,
Benzeneethanamine, 3-bromo-alpha,alpha-dimethyl-,
|
| Complexity | 145 |
| 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 | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number