N-Benzyl-N-methyl-2,3-pentadien-1-amine oxalate
TL;DR: N-Benzyl-N-methyl-2,3-pentadien-1-amine oxalate (CAS 85506-92-9) is a chemical compound with molecular formula C15H19NO4 and molecular weight 277.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-N-methylpenta-2,3-dien-1-amine;oxalic acid
Also Known As: N-Benzyl-N-methyl-2,3-pentadien-1-amine oxalate, N-benzyl-N-methylpenta-2,3-dien-1-amine, N-benzyl-N-methylpenta-2,3-dien-1-amine,oxalic acid, N-benzyl-N-methylpenta-2,3-dien-1-amine; oxalic acid, Oxalic acid--N-benzyl-N-methylpenta-2,3-dien-1-amine (1/1)
| Molecular Formula | C15H19NO4 |
|---|---|
| Molecular Weight | 277.13 g/mol |
| LogP | 2.0052 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.1314 |
| Heavy Atoms | 20 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 85506-92-9 |
|---|---|
| SMILES | CC=C=CCN(C)CC1=CC=CC=C1.C(=O)(C(=O)O)O |
| InChIKey | CKRHSNRYJUZWNK-UHFFFAOYSA-N |
Product Overview
N-Benzyl-N-methyl-2,3-pentadien-1-amine oxalate (CAS 85506-92-9), with molecular formula C15H19NO4 and molecular weight 277.13 g/mol. IUPAC: N-benzyl-N-methylpenta-2,3-dien-1-amine;oxalic acid.
Chemical Property Profile of N-Benzyl-N-methyl-2,3-pentadien-1-amine oxalate
Property Insights of N-Benzyl-N-methyl-2,3-pentadien-1-amine oxalate
The XLogP value of 2.0052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzyl-N-methyl-2,3-pentadien-1-amine oxalate. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzyl-N-methyl-2,3-pentadien-1-amine oxalate. Following Lipinski's Rule of Five, N-Benzyl-N-methyl-2,3-pentadien-1-amine oxalate has 2 hydrogen bond donor(s) and 5 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 N-Benzyl-N-methyl-2,3-pentadien-1-amine oxalate?
The CAS number of N-Benzyl-N-methyl-2,3-pentadien-1-amine oxalate is 85506-92-9.
What is the molecular formula of N-Benzyl-N-methyl-2,3-pentadien-1-amine oxalate?
The molecular formula of N-Benzyl-N-methyl-2,3-pentadien-1-amine oxalate is C15H19NO4.
What is the molecular weight of N-Benzyl-N-methyl-2,3-pentadien-1-amine oxalate?
The molecular weight of N-Benzyl-N-methyl-2,3-pentadien-1-amine oxalate is 277.13 g/mol.
Where can I buy N-Benzyl-N-methyl-2,3-pentadien-1-amine oxalate?
You can request a quote for N-Benzyl-N-methyl-2,3-pentadien-1-amine oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyl-N-methyl-2,3-pentadien-1-amine oxalate?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyl-N-methyl-2,3-pentadien-1-amine oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.