| CAS Number | 1353979-43-7 |
| Catalog Number | AG01EL6Y(AGN-PC-0WNTEF) |
| Chemical Name | N1-(3-Bromobenzyl)-N1-ethylethane-1,2-diamine |
| IUPAC Name | N'-[(3-bromophenyl)methyl]-N'-ethylethane-1,2-diamine |
| InChI | InChI=1S/C11H17BrN2/c1-2-14(7-6-13)9-10-4-3-5-11(12)8-10/h3-5,8H,2,6-7,9,13H2,1H3 |
| InChI Key | XSMDMHAMGOGFLG-UHFFFAOYSA-N |
| MDL Number | MFCD28796485 |
| Molecular Formula | C11H17BrN2 |
| Molecular Weight | 257.1701 |
| SMILES | NCCN(CC1=CC=CC(Br)=C1)CC |
| Synonyms | 1353979-43-7,
N*1*-(3-Bromo-benzyl)-N*1*-ethyl-ethane-1,2-diamine,
N1-(3-bromobenzyl)-N1-ethylethane-1,2-diamine,
ZINC76663592,
AKOS026821827,
AM94336,
N-(3-Bromobenzyl)-N-ethyl-1,2-ethanediamine,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.175g/mol |
| Monoisotopic Mass | 256.058g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number