1,3-benzodioxole-5-methanamine, n-(1-methylethyl)-, acetate (salt)
TL;DR: 1,3-benzodioxole-5-methanamine, n-(1-methylethyl)-, acetate (salt) (CAS 72156-39-9) is a chemical compound with molecular formula C13H19NO4 and molecular weight 253.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;N-(1,3-benzodioxol-5-ylmethyl)propan-2-amine
Also Known As: N-Isopropyl-piperonylamine acetate, N-Isopropyl-piperonylamine acetate [French], 1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, acetate (salt), N-(1-Methylethyl)-1,3-benzodioxole-5-methanamine acetate (salt), Acetic acid, compd. with N-(1-methylethyl)-1,3-benzodioxol-5-methanamine (1:1)
| Molecular Formula | C13H19NO4 |
|---|---|
| Molecular Weight | 253.13 g/mol |
| LogP | 2.0042 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.13141 |
| Heavy Atoms | 18 |
| Complexity | 399.97775 |
Chemical Identifiers
| CAS Number | 72156-39-9 |
|---|---|
| SMILES | CC(C)NCC1=CC2=C(C=C1)OCO2.CC(=O)O |
Product Overview
1,3-benzodioxole-5-methanamine, n-(1-methylethyl)-, acetate (salt) (CAS 72156-39-9), with molecular formula C13H19NO4 and molecular weight 253.13 g/mol. IUPAC: acetic acid;N-(1,3-benzodioxol-5-ylmethyl)propan-2-amine.
Chemical Property Profile of 1,3-benzodioxole-5-methanamine, n-(1-methylethyl)-, acetate (salt)
Property Insights of 1,3-benzodioxole-5-methanamine, n-(1-methylethyl)-, acetate (salt)
The XLogP value of 2.0042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-benzodioxole-5-methanamine, n-(1-methylethyl)-, acetate (salt). The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-benzodioxole-5-methanamine, n-(1-methylethyl)-, acetate (salt). Following Lipinski's Rule of Five, 1,3-benzodioxole-5-methanamine, n-(1-methylethyl)-, acetate (salt) has 2 hydrogen bond donor(s) and 4 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-benzodioxole-5-methanamine, n-(1-methylethyl)-, acetate (salt)?
The CAS number of 1,3-benzodioxole-5-methanamine, n-(1-methylethyl)-, acetate (salt) is 72156-39-9.
What is the molecular formula of 1,3-benzodioxole-5-methanamine, n-(1-methylethyl)-, acetate (salt)?
The molecular formula of 1,3-benzodioxole-5-methanamine, n-(1-methylethyl)-, acetate (salt) is C13H19NO4.
What is the molecular weight of 1,3-benzodioxole-5-methanamine, n-(1-methylethyl)-, acetate (salt)?
The molecular weight of 1,3-benzodioxole-5-methanamine, n-(1-methylethyl)-, acetate (salt) is 253.13 g/mol.
Where can I buy 1,3-benzodioxole-5-methanamine, n-(1-methylethyl)-, acetate (salt)?
You can request a quote for 1,3-benzodioxole-5-methanamine, n-(1-methylethyl)-, acetate (salt) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-benzodioxole-5-methanamine, n-(1-methylethyl)-, acetate (salt)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-benzodioxole-5-methanamine, n-(1-methylethyl)-, acetate (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.