1,3-Propanediamine, N,N-dimethyl-N'-phenyl-
TL;DR: 1,3-Propanediamine, N,N-dimethyl-N'-phenyl- (CAS 13658-95-2) 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.
N',N'-dimethyl-N-phenylpropane-1,3-diamine
Also Known As: 1,3-Propanediamine, N,N-dimethyl-N'-phenyl-, 3-Anilino-1-(dimethylamino)propane, N',N'-dimethyl-N-phenylpropane-1,3-diamine, N,N-Dimethyl-N'-phenyl-propane-1,3-diamine, N-[.beta.-(N,N-Dimethylamino)propyl]aniline
| Molecular Formula | C11H18N2 |
|---|---|
| Molecular Weight | 178.15 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.147 |
| Heavy Atoms | 13 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 13658-95-2 |
|---|---|
| SMILES | CN(C)CCCNC1=CC=CC=C1 |
| InChIKey | KHICLGAAEQIDSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Propanediamine, N,N-dimethyl-N'-phenyl- (CAS 13658-95-2), with molecular formula C11H18N2 and molecular weight 178.15 g/mol. IUPAC: N',N'-dimethyl-N-phenylpropane-1,3-diamine.
Chemical Property Profile of 1,3-Propanediamine, N,N-dimethyl-N'-phenyl-
Property Insights of 1,3-Propanediamine, N,N-dimethyl-N'-phenyl-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediamine, N,N-dimethyl-N'-phenyl-. With a topological polar surface area (TPSA) of 15.3 Ų, 1,3-Propanediamine, N,N-dimethyl-N'-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediamine, N,N-dimethyl-N'-phenyl- 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'-phenyl-?
The CAS number of 1,3-Propanediamine, N,N-dimethyl-N'-phenyl- is 13658-95-2.
What is the molecular formula of 1,3-Propanediamine, N,N-dimethyl-N'-phenyl-?
The molecular formula of 1,3-Propanediamine, N,N-dimethyl-N'-phenyl- is C11H18N2.
What is the molecular weight of 1,3-Propanediamine, N,N-dimethyl-N'-phenyl-?
The molecular weight of 1,3-Propanediamine, N,N-dimethyl-N'-phenyl- is 178.15 g/mol.
Where can I buy 1,3-Propanediamine, N,N-dimethyl-N'-phenyl-?
You can request a quote for 1,3-Propanediamine, N,N-dimethyl-N'-phenyl- 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'-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediamine, N,N-dimethyl-N'-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.