1,3-Benzodioxol-2-amine, hexahydro-N,N-dimethyl-
TL;DR: 1,3-Benzodioxol-2-amine, hexahydro-N,N-dimethyl- (CAS 59556-72-8) is a chemical compound with molecular formula C9H17NO2 and molecular weight 171.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-2-amine
Also Known As: 1,3-Benzodioxol-2-amine, hexahydro-N,N-dimethyl-, N,N-Dimethylhexahydro-1,3-benzodioxol-2-amine, N,N-Dimethylhexahydro-1,3-benzodioxol-2-amine #, N,N-Dimethylhexahydro-2H-1,3-benzodioxol-2-amine, N,N-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-2-amine
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 59556-72-8 |
|---|---|
| SMILES | CN(C)C1OC2CCCCC2O1 |
| InChIKey | HLGBDKBWQDEKFN-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxol-2-amine, hexahydro-N,N-dimethyl- (CAS 59556-72-8), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: N,N-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-2-amine.
Chemical Property Profile of 1,3-Benzodioxol-2-amine, hexahydro-N,N-dimethyl-
Property Insights of 1,3-Benzodioxol-2-amine, hexahydro-N,N-dimethyl-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxol-2-amine, hexahydro-N,N-dimethyl-. With a topological polar surface area (TPSA) of 21.7 Ų, 1,3-Benzodioxol-2-amine, hexahydro-N,N-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxol-2-amine, hexahydro-N,N-dimethyl- has 0 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-Benzodioxol-2-amine, hexahydro-N,N-dimethyl-?
The CAS number of 1,3-Benzodioxol-2-amine, hexahydro-N,N-dimethyl- is 59556-72-8.
What is the molecular formula of 1,3-Benzodioxol-2-amine, hexahydro-N,N-dimethyl-?
The molecular formula of 1,3-Benzodioxol-2-amine, hexahydro-N,N-dimethyl- is C9H17NO2.
What is the molecular weight of 1,3-Benzodioxol-2-amine, hexahydro-N,N-dimethyl-?
The molecular weight of 1,3-Benzodioxol-2-amine, hexahydro-N,N-dimethyl- is 171.13 g/mol.
Where can I buy 1,3-Benzodioxol-2-amine, hexahydro-N,N-dimethyl-?
You can request a quote for 1,3-Benzodioxol-2-amine, hexahydro-N,N-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxol-2-amine, hexahydro-N,N-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-2-amine, hexahydro-N,N-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.