| CAS Number | 951917-59-2 |
| Catalog Number | AG00IITI(AGN-PC-0WOL0N) |
| Chemical Name | [2-Amino-1-(3-bromophenyl)ethyl]dimethylamine |
| IUPAC Name | 1-(3-bromophenyl)-N,N-dimethylethane-1,2-diamine |
| InChI | InChI=1S/C10H15BrN2/c1-13(2)10(7-12)8-4-3-5-9(11)6-8/h3-6,10H,7,12H2,1-2H3 |
| InChI Key | OYMFXONHTUORJI-UHFFFAOYSA-N |
| MDL Number | MFCD09727568 |
| Molecular Formula | C10H15BrN2 |
| Molecular Weight | 243.1435 |
| SMILES | NCC(c1cccc(c1)Br)N(C)C |
| Synonyms | 951917-59-2,
1-(3-Bromophenyl)-N1,N1-dimethylethane-1,2-diamine,
[2-AMINO-1-(3-BROMOPHENYL)ETHYL]DIMETHYLAMINE,
CTK7E2691,
AKOS000136573,
AKOS016050117,
N-[2-AMINO-1-(3-BROMOPHENYL)ETHYL]-N,N-DIMETHYLAMINE,
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| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.04186g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.14g/mol |
| Monoisotopic Mass | 242.04186g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.3Ų |
| 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
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