1,3-Benzodioxole-5-propanamine
TL;DR: 1,3-Benzodioxole-5-propanamine (CAS 6301-13-9) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)propan-1-amine
Also Known As: 1,3-BENZODIOXOLE-5-PROPANAMINE, 3-(2H-1,3-benzodioxol-5-yl)propan-1-amine, 3-(1,3-benzodioxol-5-yl)propan-1-amine, 3-(1,3-dioxaindan-5-yl)propan-1-amine, 1,3-Benzodioxole-5-(1-propaneamine)
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 6301-13-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CCCN |
| InChIKey | CLJLCLGOWKOKJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzodioxole-5-propanamine (CAS 6301-13-9), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)propan-1-amine.
Chemical Property Profile of 1,3-Benzodioxole-5-propanamine
Property Insights of 1,3-Benzodioxole-5-propanamine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole-5-propanamine. With a topological polar surface area (TPSA) of 44.5 Ų, 1,3-Benzodioxole-5-propanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5-propanamine 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-Benzodioxole-5-propanamine?
The CAS number of 1,3-Benzodioxole-5-propanamine is 6301-13-9.
What is the molecular formula of 1,3-Benzodioxole-5-propanamine?
The molecular formula of 1,3-Benzodioxole-5-propanamine is C10H13NO2.
What is the molecular weight of 1,3-Benzodioxole-5-propanamine?
The molecular weight of 1,3-Benzodioxole-5-propanamine is 179.09 g/mol.
Where can I buy 1,3-Benzodioxole-5-propanamine?
You can request a quote for 1,3-Benzodioxole-5-propanamine 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-propanamine?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5-propanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.