3-Dimethylaminobenzoyl chloride
TL;DR: 3-Dimethylaminobenzoyl chloride (CAS 117500-61-5) is a chemical compound with molecular formula C9H10ClNO and molecular weight 183.04509 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(dimethylamino)benzoyl chloride
Also Known As: 3-DIMETHYLAMINOBENZOYL CHLORIDE, 3-(dimethylamino)benzoyl chloride, Benzoyl chloride, 3-(dimethylamino)-, m-dimethylaminobenzoyl chloride, 3-dimethylamino-benzoyl chloride
Technical Specifications
| Molecular Formula | C9H10ClNO |
| Molecular Weight | 183.04509 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.04509 Da |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
| SMILES | CN(C)C1=CC=CC(=C1)C(=O)Cl |
| InChIKey | CUECQYFYMGJLJD-UHFFFAOYSA-N |
Chemical Property Profile of 3-Dimethylaminobenzoyl chloride
Property Insights of 3-Dimethylaminobenzoyl chloride
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Dimethylaminobenzoyl chloride. With a topological polar surface area (TPSA) of 20.3 Ų, 3-Dimethylaminobenzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Dimethylaminobenzoyl chloride has 0 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 3-Dimethylaminobenzoyl chloride?
The CAS number of 3-Dimethylaminobenzoyl chloride is 117500-61-5.
What is the molecular formula of 3-Dimethylaminobenzoyl chloride?
The molecular formula of 3-Dimethylaminobenzoyl chloride is C9H10ClNO.
What is the molecular weight of 3-Dimethylaminobenzoyl chloride?
The molecular weight of 3-Dimethylaminobenzoyl chloride is 183.04509 g/mol.
Where can I buy 3-Dimethylaminobenzoyl chloride?
You can request a quote for 3-Dimethylaminobenzoyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Dimethylaminobenzoyl chloride?
Yes, CoreyChem provides custom synthesis services for 3-Dimethylaminobenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.