3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one
TL;DR: 3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one (CAS 137036-54-5) is a chemical compound with molecular formula C10H12N2O and molecular weight 176.09496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one
Also Known As: 3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one, benazepril intermediate, 3-Amino-1,3,4,5-tetrahydro-benzo[b]azepin-2-one, 3-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one, 3-Amino-2,3,4,5-Tetrahydro-1H-1-benzazepin-2-one
Technical Specifications
| Molecular Formula | C10H12N2O |
| Molecular Weight | 176.09496 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.09496 Da |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
| SMILES | C1CC2=CC=CC=C2NC(=O)C1N |
| InChIKey | AUAKXRGQXZRTQC-UHFFFAOYSA-N |
Chemical Property Profile of 3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one
Property Insights of 3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one. With a topological polar surface area (TPSA) of 55.1 Ų, 3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one 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 3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one?
The CAS number of 3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one is 137036-54-5.
What is the molecular formula of 3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one?
The molecular formula of 3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one is C10H12N2O.
What is the molecular weight of 3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one?
The molecular weight of 3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one is 176.09496 g/mol.
Where can I buy 3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one?
You can request a quote for 3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one?
Yes, CoreyChem provides custom synthesis services for 3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.