3-Amino-N-benzyl-N,N-dimethylpropan-1-aminium
TL;DR: 3-Amino-N-benzyl-N,N-dimethylpropan-1-aminium (CAS 61789-70-6) is a chemical compound with molecular formula C12H21N2+ and molecular weight 193.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-aminopropyl-benzyl-dimethylazanium
Also Known As: EINECS 263-079-2, 3-aminopropyl-benzyl-dimethylazanium, 3-Amino-N-benzyl-N,N-dimethylpropan-1-aminium, Benzenemethanaminium, N-(3-aminopropyl)-N,N-dimethyl-, N-coco acyl derivs., chlorides, Benzenemethanaminium, N-(3-aminopropyl)-N,N-dimethyl-, N-coco acylderivs., chlorides
| Molecular Formula | C12H21N2+ |
|---|---|
| Molecular Weight | 193.17 g/mol |
| LogP | 1.6118 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 193.17047 |
| Heavy Atoms | 14 |
| Complexity | 254.28406 |
Chemical Identifiers
| CAS Number | 61789-70-6 |
|---|---|
| SMILES | C[N+](C)(CCCN)CC1=CC=CC=C1 |
Product Overview
3-Amino-N-benzyl-N,N-dimethylpropan-1-aminium (CAS 61789-70-6), with molecular formula C12H21N2+ and molecular weight 193.17 g/mol. IUPAC: 3-aminopropyl-benzyl-dimethylazanium.
Chemical Property Profile of 3-Amino-N-benzyl-N,N-dimethylpropan-1-aminium
Property Insights of 3-Amino-N-benzyl-N,N-dimethylpropan-1-aminium
The XLogP value of 1.6118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-N-benzyl-N,N-dimethylpropan-1-aminium. With a topological polar surface area (TPSA) of 26.02 Ų, 3-Amino-N-benzyl-N,N-dimethylpropan-1-aminium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-N-benzyl-N,N-dimethylpropan-1-aminium has 1 hydrogen bond donor(s) and 1 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 3-Amino-N-benzyl-N,N-dimethylpropan-1-aminium?
The CAS number of 3-Amino-N-benzyl-N,N-dimethylpropan-1-aminium is 61789-70-6.
What is the molecular formula of 3-Amino-N-benzyl-N,N-dimethylpropan-1-aminium?
The molecular formula of 3-Amino-N-benzyl-N,N-dimethylpropan-1-aminium is C12H21N2+.
What is the molecular weight of 3-Amino-N-benzyl-N,N-dimethylpropan-1-aminium?
The molecular weight of 3-Amino-N-benzyl-N,N-dimethylpropan-1-aminium is 193.17 g/mol.
Where can I buy 3-Amino-N-benzyl-N,N-dimethylpropan-1-aminium?
You can request a quote for 3-Amino-N-benzyl-N,N-dimethylpropan-1-aminium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-N-benzyl-N,N-dimethylpropan-1-aminium?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-N-benzyl-N,N-dimethylpropan-1-aminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.