2-Propen-1-amine, N-methyl-N-2-propen-1-yl-, acetate (1:1)
TL;DR: 2-Propen-1-amine, N-methyl-N-2-propen-1-yl-, acetate (1:1) (CAS 68240-12-0) is a chemical compound with molecular formula C9H17NO2 and molecular weight 171.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;N-methyl-N-prop-2-enylprop-2-en-1-amine
Also Known As: Diallylmethylammonium acetate, Methyldiallylammonium acetate, diallylmethylammoniumacetate, 2-Propen-1-amine, N-methyl-N-2-propenyl-, acetate, n-allyl-n-methylprop-2-en-1-aminium acetate
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | 1.38 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 68240-12-0 |
|---|---|
| SMILES | CC(=O)O.CN(CC=C)CC=C |
| InChIKey | DTUPNZXTCFWJPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propen-1-amine, N-methyl-N-2-propen-1-yl-, acetate (1:1) (CAS 68240-12-0), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: acetic acid;N-methyl-N-prop-2-enylprop-2-en-1-amine.
Chemical Property Profile of 2-Propen-1-amine, N-methyl-N-2-propen-1-yl-, acetate (1:1)
Property Insights of 2-Propen-1-amine, N-methyl-N-2-propen-1-yl-, acetate (1:1)
The XLogP value of 1.38 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propen-1-amine, N-methyl-N-2-propen-1-yl-, acetate (1:1). With a topological polar surface area (TPSA) of 40.5 Ų, 2-Propen-1-amine, N-methyl-N-2-propen-1-yl-, acetate (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propen-1-amine, N-methyl-N-2-propen-1-yl-, acetate (1:1) 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 2-Propen-1-amine, N-methyl-N-2-propen-1-yl-, acetate (1:1)?
The CAS number of 2-Propen-1-amine, N-methyl-N-2-propen-1-yl-, acetate (1:1) is 68240-12-0.
What is the molecular formula of 2-Propen-1-amine, N-methyl-N-2-propen-1-yl-, acetate (1:1)?
The molecular formula of 2-Propen-1-amine, N-methyl-N-2-propen-1-yl-, acetate (1:1) is C9H17NO2.
What is the molecular weight of 2-Propen-1-amine, N-methyl-N-2-propen-1-yl-, acetate (1:1)?
The molecular weight of 2-Propen-1-amine, N-methyl-N-2-propen-1-yl-, acetate (1:1) is 171.13 g/mol.
Where can I buy 2-Propen-1-amine, N-methyl-N-2-propen-1-yl-, acetate (1:1)?
You can request a quote for 2-Propen-1-amine, N-methyl-N-2-propen-1-yl-, acetate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propen-1-amine, N-methyl-N-2-propen-1-yl-, acetate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2-Propen-1-amine, N-methyl-N-2-propen-1-yl-, acetate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.