1,3-Propanediamine, N,N-dimethyl-N'-o-tolyl-, hydrochloride
TL;DR: 1,3-Propanediamine, N,N-dimethyl-N'-o-tolyl-, hydrochloride (CAS 90358-90-0) is a chemical compound with molecular formula C12H21ClN2 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine;hydrochloride
Also Known As: 1,3-Propanediamine, N,N-dimethyl-N'-o-tolyl-, hydrochloride, N,N-Dimethyl-N'-o-tolyl-1,3-propanediamine monohydrochloride, Chlorhydrate de N-(gamma-dimethylaminopropyl) ortho-toluidine [French], 1,3-Propanediamine, N,N-dimethyl-N'-(2-methylphenyl)-, hydrochloride, Chlorhydrate de N-(gamma-dimethylaminopropyl) ortho-toluidine
| Molecular Formula | C12H21ClN2 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 2.78042 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.13933 |
| Heavy Atoms | 15 |
| Complexity | 274.07956 |
Chemical Identifiers
| CAS Number | 90358-90-0 |
|---|---|
| SMILES | CC1=CC=CC=C1NCCCN(C)C.Cl |
Product Overview
1,3-Propanediamine, N,N-dimethyl-N'-o-tolyl-, hydrochloride (CAS 90358-90-0), with molecular formula C12H21ClN2 and molecular weight 228.14 g/mol. IUPAC: N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine;hydrochloride.
Chemical Property Profile of 1,3-Propanediamine, N,N-dimethyl-N'-o-tolyl-, hydrochloride
Property Insights of 1,3-Propanediamine, N,N-dimethyl-N'-o-tolyl-, hydrochloride
The XLogP value of 2.78042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediamine, N,N-dimethyl-N'-o-tolyl-, hydrochloride. With a topological polar surface area (TPSA) of 15.27 Ų, 1,3-Propanediamine, N,N-dimethyl-N'-o-tolyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediamine, N,N-dimethyl-N'-o-tolyl-, hydrochloride has 1 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 1,3-Propanediamine, N,N-dimethyl-N'-o-tolyl-, hydrochloride?
The CAS number of 1,3-Propanediamine, N,N-dimethyl-N'-o-tolyl-, hydrochloride is 90358-90-0.
What is the molecular formula of 1,3-Propanediamine, N,N-dimethyl-N'-o-tolyl-, hydrochloride?
The molecular formula of 1,3-Propanediamine, N,N-dimethyl-N'-o-tolyl-, hydrochloride is C12H21ClN2.
What is the molecular weight of 1,3-Propanediamine, N,N-dimethyl-N'-o-tolyl-, hydrochloride?
The molecular weight of 1,3-Propanediamine, N,N-dimethyl-N'-o-tolyl-, hydrochloride is 228.14 g/mol.
Where can I buy 1,3-Propanediamine, N,N-dimethyl-N'-o-tolyl-, hydrochloride?
You can request a quote for 1,3-Propanediamine, N,N-dimethyl-N'-o-tolyl-, 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-Propanediamine, N,N-dimethyl-N'-o-tolyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediamine, N,N-dimethyl-N'-o-tolyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.