2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile hydrochloride
TL;DR: 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile hydrochloride (CAS 2544-13-0) is a chemical compound with molecular formula C12H17ClN2O2 and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile;hydrochloride
Also Known As: EINECS 219-823-3, Q120, 2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile hydrochloride, rac alpha-Amino-3,4-dimethoxy-alpha-methylbenzenepropanenitrile Hydrochloride, EC 219-823-3
| Molecular Formula | C12H17ClN2O2 |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | 1.90908 |
| Topological Polar Surface Area | 68.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.09787 |
| Heavy Atoms | 17 |
| Complexity | 413.4569 |
Chemical Identifiers
| CAS Number | 2544-13-0 |
|---|---|
| SMILES | CC(CC1=CC(=C(C=C1)OC)OC)(C#N)N.Cl |
Product Overview
2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile hydrochloride (CAS 2544-13-0), with molecular formula C12H17ClN2O2 and molecular weight 256.10 g/mol. IUPAC: 2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile;hydrochloride.
Chemical Property Profile of 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile hydrochloride
Property Insights of 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile hydrochloride
The XLogP value of 1.90908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile hydrochloride. The TPSA of 68.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile hydrochloride. Following Lipinski's Rule of Five, 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile hydrochloride has 1 hydrogen bond donor(s) and 4 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 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile hydrochloride?
The CAS number of 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile hydrochloride is 2544-13-0.
What is the molecular formula of 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile hydrochloride?
The molecular formula of 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile hydrochloride is C12H17ClN2O2.
What is the molecular weight of 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile hydrochloride?
The molecular weight of 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile hydrochloride is 256.10 g/mol.
Where can I buy 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile hydrochloride?
You can request a quote for 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.