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[(2H-1,3-benzodioxol-5-yl)methyl](prop-2-en-1-yl)amine
TL;DR: [(2H-1,3-benzodioxol-5-yl)methyl](prop-2-en-1-yl)amine (CAS 68291-57-6) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)prop-2-en-1-amine
Also Known As: N-allyl-N-piperonyl amine, [(2H-1,3-benzodioxol-5-yl)methyl](prop-2-en-1-yl)amine, N-(1,3-benzodioxol-5-ylmethyl)prop-2-en-1-amine, N-Allyl-1,3-benzodioxole-5-methanamine, J1.853.389H
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 1.6909 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 336.05945 |
Chemical Identifiers
| CAS Number | 68291-57-6 |
|---|---|
| SMILES | C=CCNCC1=CC2=C(C=C1)OCO2 |
Product Overview
[(2H-1,3-benzodioxol-5-yl)methyl](prop-2-en-1-yl)amine (CAS 68291-57-6), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)prop-2-en-1-amine.
Chemical Property Profile of [(2H-1,3-benzodioxol-5-yl)methyl](prop-2-en-1-yl)amine
Property Insights of [(2H-1,3-benzodioxol-5-yl)methyl](prop-2-en-1-yl)amine
The XLogP value of 1.6909 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2H-1,3-benzodioxol-5-yl)methyl](prop-2-en-1-yl)amine. With a topological polar surface area (TPSA) of 30.49 Ų, [(2H-1,3-benzodioxol-5-yl)methyl](prop-2-en-1-yl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(2H-1,3-benzodioxol-5-yl)methyl](prop-2-en-1-yl)amine 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 [(2H-1,3-benzodioxol-5-yl)methyl](prop-2-en-1-yl)amine?
The CAS number of [(2H-1,3-benzodioxol-5-yl)methyl](prop-2-en-1-yl)amine is 68291-57-6.
What is the molecular formula of [(2H-1,3-benzodioxol-5-yl)methyl](prop-2-en-1-yl)amine?
The molecular formula of [(2H-1,3-benzodioxol-5-yl)methyl](prop-2-en-1-yl)amine is C11H13NO2.
What is the molecular weight of [(2H-1,3-benzodioxol-5-yl)methyl](prop-2-en-1-yl)amine?
The molecular weight of [(2H-1,3-benzodioxol-5-yl)methyl](prop-2-en-1-yl)amine is 191.09 g/mol.
Where can I buy [(2H-1,3-benzodioxol-5-yl)methyl](prop-2-en-1-yl)amine?
You can request a quote for [(2H-1,3-benzodioxol-5-yl)methyl](prop-2-en-1-yl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2H-1,3-benzodioxol-5-yl)methyl](prop-2-en-1-yl)amine?
Yes, KEHONG BIO provides custom synthesis services for [(2H-1,3-benzodioxol-5-yl)methyl](prop-2-en-1-yl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.