| CAS Number | 111831-90-4 |
| Catalog Number | AG008US0(AGN-PC-0JKWI1) |
| Chemical Name | 2-BROMO-3-(N-BENZYLMETHYLAMINO)PROP-1-ENE |
| IUPAC Name | N-benzyl-2-bromo-N-methylprop-2-en-1-amine |
| InChI | InChI=1S/C11H14BrN/c1-10(12)8-13(2)9-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3 |
| InChI Key | SPHHUCGYUGGGPF-UHFFFAOYSA-N |
| MDL Number | MFCD00995624 |
| Molecular Formula | C11H14BrN |
| Molecular Weight | 240.1396 |
| SMILES | CN(Cc1ccccc1)CC(=C)Br |
| Synonyms | 111831-90-4,
2-BROMO-3-(N-BENZYLMETHYLAMINO)PROP-1-ENE,
N-benzyl-2-bromo-N-methylprop-2-en-1-amine,
benzyl-(2-bromo-allyl)-methyl-amine,
AC1L2JWL,
AC1Q23PI,
SCHEMBL606164,
ZINC57753508,
C-1276,
BENZYL(2-BROMOPROP-2-EN-1-YL)METHYLAMINE,
CID48342,
N-benzyl-2-bromo-N-methyl-prop-2-en-1-amine,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.144g/mol |
| Monoisotopic Mass | 239.031g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number