N-(1,3-benzodioxol-5-ylmethyl)butan-2-amine
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)butan-2-amine (CAS 68291-96-3) 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-2-amine
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)butan-2-amine, (2H-1,3-Benzodioxol-5-ylmethyl)(butan-2-yl)amine, ASN 07018462, [(2H-1,3-benzodioxol-5-yl)methyl](butan-2-yl)amine, [(1,3-dioxaindan-5-yl)methyl](butan-2-yl)amine
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.3034 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 338.39404 |
Chemical Identifiers
| CAS Number | 68291-96-3 |
|---|---|
| SMILES | CCC(C)NCC1=CC2=C(C=C1)OCO2 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)butan-2-amine (CAS 68291-96-3), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)butan-2-amine.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)butan-2-amine
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)butan-2-amine
The XLogP value of 2.3034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)butan-2-amine. With a topological polar surface area (TPSA) of 30.49 Ų, N-(1,3-benzodioxol-5-ylmethyl)butan-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)butan-2-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 N-(1,3-benzodioxol-5-ylmethyl)butan-2-amine?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)butan-2-amine is 68291-96-3.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)butan-2-amine?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)butan-2-amine is C12H17NO2.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)butan-2-amine?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)butan-2-amine is 207.13 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)butan-2-amine?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)butan-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)butan-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)butan-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.