N1,N2-Dimethyl-3-phenyl-1,2-propanediamine
TL;DR: N1,N2-Dimethyl-3-phenyl-1,2-propanediamine (CAS 105469-06-5) is a chemical compound with molecular formula C11H18N2 and molecular weight 178.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,2-N-dimethyl-3-phenylpropane-1,2-diamine
Also Known As: 1,2-bis(N-methylamino)-3-phenylpropane, N1,N2-Dimethyl-3-phenyl-1,2-propanediamine, 1-N,2-N-dimethyl-3-phenylpropane-1,2-diamine, 1,2-Propanediamine, N,N'-dimethyl-3-phenyl-, (S)-, N~1~,N~2~-Dimethyl-3-phenylpropane-1,2-diamine
| Molecular Formula | C11H18N2 |
|---|---|
| Molecular Weight | 178.15 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.147 |
| Heavy Atoms | 13 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 105469-06-5 |
|---|---|
| SMILES | CNCC(CC1=CC=CC=C1)NC |
| InChIKey | XDUPKSNEXOMENC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N1,N2-Dimethyl-3-phenyl-1,2-propanediamine (CAS 105469-06-5), with molecular formula C11H18N2 and molecular weight 178.15 g/mol. IUPAC: 1-N,2-N-dimethyl-3-phenylpropane-1,2-diamine.
Chemical Property Profile of N1,N2-Dimethyl-3-phenyl-1,2-propanediamine
Property Insights of N1,N2-Dimethyl-3-phenyl-1,2-propanediamine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1,N2-Dimethyl-3-phenyl-1,2-propanediamine. With a topological polar surface area (TPSA) of 24.1 Ų, N1,N2-Dimethyl-3-phenyl-1,2-propanediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N1,N2-Dimethyl-3-phenyl-1,2-propanediamine has 2 hydrogen bond donor(s) and 2 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 N1,N2-Dimethyl-3-phenyl-1,2-propanediamine?
The CAS number of N1,N2-Dimethyl-3-phenyl-1,2-propanediamine is 105469-06-5.
What is the molecular formula of N1,N2-Dimethyl-3-phenyl-1,2-propanediamine?
The molecular formula of N1,N2-Dimethyl-3-phenyl-1,2-propanediamine is C11H18N2.
What is the molecular weight of N1,N2-Dimethyl-3-phenyl-1,2-propanediamine?
The molecular weight of N1,N2-Dimethyl-3-phenyl-1,2-propanediamine is 178.15 g/mol.
Where can I buy N1,N2-Dimethyl-3-phenyl-1,2-propanediamine?
You can request a quote for N1,N2-Dimethyl-3-phenyl-1,2-propanediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1,N2-Dimethyl-3-phenyl-1,2-propanediamine?
Yes, KEHONG BIO provides custom synthesis services for N1,N2-Dimethyl-3-phenyl-1,2-propanediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.