Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, N-oxide
TL;DR: Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, N-oxide (CAS 63418-54-2) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-N-methylmethanimine oxide
Also Known As: 1-(1,3-benzodioxol-5-yl)-N-methylmethanimine oxide, Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, N-oxide, benzo[1,3]dioxol-5-ylmethylene-methyl-amine oxide, 1-benzo[1,3]dioxol-5-yl-N-methyl-methanimine Oxide, (2H-1,3-Benzodioxol-5-yl)-N-methylmethanimine N-oxide
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 0.9743 |
| Topological Polar Surface Area | 44.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 355.8775 |
Chemical Identifiers
| CAS Number | 63418-54-2 |
|---|---|
| SMILES | C[N+](=CC1=CC2=C(C=C1)OCO2)[O-] |
Product Overview
Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, N-oxide (CAS 63418-54-2), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-N-methylmethanimine oxide.
Chemical Property Profile of Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, N-oxide
Property Insights of Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, N-oxide
The XLogP value of 0.9743 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, N-oxide. With a topological polar surface area (TPSA) of 44.53 Ų, Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, N-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, N-oxide has 0 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 Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, N-oxide?
The CAS number of Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, N-oxide is 63418-54-2.
What is the molecular formula of Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, N-oxide?
The molecular formula of Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, N-oxide is C9H9NO3.
What is the molecular weight of Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, N-oxide?
The molecular weight of Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, N-oxide is 179.06 g/mol.
Where can I buy Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, N-oxide?
You can request a quote for Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, N-oxide?
Yes, KEHONG BIO provides custom synthesis services for Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.