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[(2H-1,3-benzodioxol-5-yl)methyl](butyl)amine
TL;DR: [(2H-1,3-benzodioxol-5-yl)methyl](butyl)amine (CAS 68291-94-1) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)butan-1-amine
Also Known As: [(2H-1,3-benzodioxol-5-yl)methyl](butyl)amine|KS-00001LIP|N-(1,3-benzodioxol-5-ylmethyl)butan-1-amine|1,3-Benzodioxole-5-methanamine, N-butyl-|(2H-1,3-Benzodioxol-5-ylmethyl)(butyl)amine|N-(benzo[1,3]dioxol-5-ylmethyl)butan-1-amine|N-(Benzo[d][1,3]dioxol-5-ylmethyl)butan-1-amine|MFCD07409924
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.305 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 325.3982 |
Chemical Identifiers
| CAS Number | 68291-94-1 |
|---|---|
| SMILES | CCCCNCC1=CC2=C(C=C1)OCO2 |
Product Overview
[(2H-1,3-benzodioxol-5-yl)methyl](butyl)amine (CAS 68291-94-1), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)butan-1-amine.
Chemical Property Profile of [(2H-1,3-benzodioxol-5-yl)methyl](butyl)amine
Property Insights of [(2H-1,3-benzodioxol-5-yl)methyl](butyl)amine
The XLogP value of 2.305 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2H-1,3-benzodioxol-5-yl)methyl](butyl)amine. With a topological polar surface area (TPSA) of 30.49 Ų, [(2H-1,3-benzodioxol-5-yl)methyl](butyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(2H-1,3-benzodioxol-5-yl)methyl](butyl)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](butyl)amine?
The CAS number of [(2H-1,3-benzodioxol-5-yl)methyl](butyl)amine is 68291-94-1.
What is the molecular formula of [(2H-1,3-benzodioxol-5-yl)methyl](butyl)amine?
The molecular formula of [(2H-1,3-benzodioxol-5-yl)methyl](butyl)amine is C12H17NO2.
What is the molecular weight of [(2H-1,3-benzodioxol-5-yl)methyl](butyl)amine?
The molecular weight of [(2H-1,3-benzodioxol-5-yl)methyl](butyl)amine is 207.13 g/mol.
Where can I buy [(2H-1,3-benzodioxol-5-yl)methyl](butyl)amine?
You can request a quote for [(2H-1,3-benzodioxol-5-yl)methyl](butyl)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](butyl)amine?
Yes, KEHONG BIO provides custom synthesis services for [(2H-1,3-benzodioxol-5-yl)methyl](butyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.