1,3-Benzodioxole, 2-methyl-2-(methylamino)-, hydrochloride
TL;DR: 1,3-Benzodioxole, 2-methyl-2-(methylamino)-, hydrochloride (CAS 78186-61-5) is a chemical compound with molecular formula C9H12ClNO2 and molecular weight 201.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl-(2-methyl-1,3-benzodioxol-2-yl)azanium chloride
Also Known As: 2-Methyl-2-(methylamino)-1,3-benzodioxole hydrochloride, 1,3-BENZODIOXOLE, 2-METHYL-2-(METHYLAMINO)-, HYDROCHLORIDE, methyl-(2-methyl-1,3-benzodioxol-2-yl)azanium chloride, 1,3-Benzodioxol-2-amine, N,2-dimethyl-, hydrochloride, methyl-(2-methyl-1,3-benzodioxol-2-yl)azanium,chloride
| Molecular Formula | C9H12ClNO2 |
|---|---|
| Molecular Weight | 201.06 g/mol |
| LogP | -2.67 |
| Topological Polar Surface Area | 35.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.05565 |
| Heavy Atoms | 13 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 78186-61-5 |
|---|---|
| SMILES | CC1(OC2=CC=CC=C2O1)[NH2+]C.[Cl-] |
| InChIKey | HMFMRUMZUBDHOR-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole, 2-methyl-2-(methylamino)-, hydrochloride (CAS 78186-61-5), with molecular formula C9H12ClNO2 and molecular weight 201.06 g/mol. IUPAC: methyl-(2-methyl-1,3-benzodioxol-2-yl)azanium chloride.
Chemical Property Profile of 1,3-Benzodioxole, 2-methyl-2-(methylamino)-, hydrochloride
Property Insights of 1,3-Benzodioxole, 2-methyl-2-(methylamino)-, hydrochloride
The XLogP value of -2.67 indicates that 1,3-Benzodioxole, 2-methyl-2-(methylamino)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 35.1 Ų, 1,3-Benzodioxole, 2-methyl-2-(methylamino)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 2-methyl-2-(methylamino)-, hydrochloride 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, 2-methyl-2-(methylamino)-, hydrochloride?
The CAS number of 1,3-Benzodioxole, 2-methyl-2-(methylamino)-, hydrochloride is 78186-61-5.
What is the molecular formula of 1,3-Benzodioxole, 2-methyl-2-(methylamino)-, hydrochloride?
The molecular formula of 1,3-Benzodioxole, 2-methyl-2-(methylamino)-, hydrochloride is C9H12ClNO2.
What is the molecular weight of 1,3-Benzodioxole, 2-methyl-2-(methylamino)-, hydrochloride?
The molecular weight of 1,3-Benzodioxole, 2-methyl-2-(methylamino)-, hydrochloride is 201.06 g/mol.
Where can I buy 1,3-Benzodioxole, 2-methyl-2-(methylamino)-, hydrochloride?
You can request a quote for 1,3-Benzodioxole, 2-methyl-2-(methylamino)-, hydrochloride 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, 2-methyl-2-(methylamino)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 2-methyl-2-(methylamino)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.