![1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-propylamine structure](/static/products/847/847902-56-1.png)
1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-propylamine
TL;DR: 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-propylamine (CAS 847902-56-1) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropan-1-amine
Also Known As: Butyl octyl phthalate, 3-iodo-2(H)-pyran-2-one, 5-Fluoro-2-nitropyridin-3-ol, 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-propylamine, 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropan-1-amine
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 2.5037 |
| Topological Polar Surface Area | 44.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 362.95026 |
Chemical Identifiers
| CAS Number | 847902-56-1 |
|---|---|
| SMILES | CC(C)C(C1=CC2=C(C=C1)OCCCO2)N |
Product Overview
1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-propylamine (CAS 847902-56-1), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropan-1-amine.
Chemical Property Profile of 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-propylamine
Property Insights of 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-propylamine
The XLogP value of 2.5037 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-propylamine. With a topological polar surface area (TPSA) of 44.48 Ų, 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-propylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-propylamine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-propylamine?
The CAS number of 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-propylamine is 847902-56-1.
What is the molecular formula of 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-propylamine?
The molecular formula of 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-propylamine is C13H19NO2.
What is the molecular weight of 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-propylamine?
The molecular weight of 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-propylamine is 221.14 g/mol.
Where can I buy 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-propylamine?
You can request a quote for 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-propylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-propylamine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-propylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.