2-(N-tert-Butylamino)-3'-bromopropiophenone hydrochloride
TL;DR: 2-(N-tert-Butylamino)-3'-bromopropiophenone hydrochloride (CAS 1049718-43-5) is a chemical compound with molecular formula C13H19BrClNO and molecular weight 319.03384 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-bromophenyl)-2-(tert-butylamino)propan-1-one;hydrochloride
Also Known As: Bupropion Impurity 2, Bupropion Impurity B HCl, 2-(tert-Butylamino)-3'-bromopropiophenone Hydrochloride, NIOSH/UC1994000, Bupropion USP Related Compound B
Technical Specifications
| Molecular Formula | C13H19BrClNO |
| Molecular Weight | 319.03384 g/mol |
| XLogP | 3.8302 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.03384 Da |
| Heavy Atoms | 17 |
| Complexity | 247.0 |
| SMILES | CC(C(=O)C1=CC(=CC=C1)Br)NC(C)(C)C.Cl |
| InChIKey | HMVQYWGSISNYSZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(N-tert-Butylamino)-3'-bromopropiophenone hydrochloride
Property Insights of 2-(N-tert-Butylamino)-3'-bromopropiophenone hydrochloride
The XLogP value of 3.8302 indicates that 2-(N-tert-Butylamino)-3'-bromopropiophenone hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 2-(N-tert-Butylamino)-3'-bromopropiophenone hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(N-tert-Butylamino)-3'-bromopropiophenone hydrochloride has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(N-tert-Butylamino)-3'-bromopropiophenone hydrochloride?
The CAS number of 2-(N-tert-Butylamino)-3'-bromopropiophenone hydrochloride is 1049718-43-5.
What is the molecular formula of 2-(N-tert-Butylamino)-3'-bromopropiophenone hydrochloride?
The molecular formula of 2-(N-tert-Butylamino)-3'-bromopropiophenone hydrochloride is C13H19BrClNO.
What is the molecular weight of 2-(N-tert-Butylamino)-3'-bromopropiophenone hydrochloride?
The molecular weight of 2-(N-tert-Butylamino)-3'-bromopropiophenone hydrochloride is 319.03384 g/mol.
Where can I buy 2-(N-tert-Butylamino)-3'-bromopropiophenone hydrochloride?
You can request a quote for 2-(N-tert-Butylamino)-3'-bromopropiophenone hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(N-tert-Butylamino)-3'-bromopropiophenone hydrochloride?
Yes, CoreyChem provides custom synthesis services for 2-(N-tert-Butylamino)-3'-bromopropiophenone hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.