| CAS Number | 951917-39-8 |
| Catalog Number | AG00IITH(AGN-PC-0WOL0M) |
| Chemical Name | 1-(4-Bromophenyl)-N1,N1-dimethylethane-1,2-diamine |
| IUPAC Name | 1-(4-bromophenyl)-N,N-dimethylethane-1,2-diamine |
| InChI | InChI=1S/C10H15BrN2/c1-13(2)10(7-12)8-3-5-9(11)6-4-8/h3-6,10H,7,12H2,1-2H3 |
| InChI Key | RRKBCANPLPFWSQ-UHFFFAOYSA-N |
| MDL Number | MFCD09740017 |
| Molecular Formula | C10H15BrN2 |
| Molecular Weight | 243.1435 |
| SMILES | NCC(c1ccc(cc1)Br)N(C)C |
| Synonyms | 951917-39-8,
[2-amino-1-(4-bromophenyl)ethyl]dimethylamine,
1-(4-Bromophenyl)-N1,N1-dimethylethane-1,2-diamine,
CTK7E2313,
AKOS000147376,
AKOS016042411,
N-[2-AMINO-1-(4-BROMOPHENYL)ETHYL]-N,N-DIMETHYLAMINE,
1-(4-Bromo-phenyl)-N*1*,N*1*-dimethyl-ethane-1,2-diamine,
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| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.148g/mol |
| Monoisotopic Mass | 242.042g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number