1,6-Heptadien-4-amine, 4-(2-propenyl)-, ethanedioate (1:1)
TL;DR: 1,6-Heptadien-4-amine, 4-(2-propenyl)-, ethanedioate (1:1) (CAS 56065-61-3) is a chemical compound with molecular formula C12H19NO4 and molecular weight 241.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;4-prop-2-enylhepta-1,6-dien-4-amine
Also Known As: 1,6-Heptadien-4-amine, 4-(2-propenyl)-, ethanedioate (1:1), 4-(2-Propenyl)-1,6-heptadien-4-amine ethanedioate (1:1), oxalic acid; 4-prop-2-enylhepta-1,6-dien-4-amine, Oxalic acid--4-(prop-2-en-1-yl)hepta-1,6-dien-4-amine (1/1), RefChem:221571
| Molecular Formula | C12H19NO4 |
|---|---|
| Molecular Weight | 241.13 g/mol |
| LogP | 1.5678 |
| Topological Polar Surface Area | 100.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 241.13141 |
| Heavy Atoms | 17 |
| Complexity | 258.35144 |
Chemical Identifiers
| CAS Number | 56065-61-3 |
|---|---|
| SMILES | C=CCC(CC=C)(CC=C)N.C(=O)(C(=O)O)O |
Product Overview
1,6-Heptadien-4-amine, 4-(2-propenyl)-, ethanedioate (1:1) (CAS 56065-61-3), with molecular formula C12H19NO4 and molecular weight 241.13 g/mol. IUPAC: oxalic acid;4-prop-2-enylhepta-1,6-dien-4-amine.
Chemical Property Profile of 1,6-Heptadien-4-amine, 4-(2-propenyl)-, ethanedioate (1:1)
Property Insights of 1,6-Heptadien-4-amine, 4-(2-propenyl)-, ethanedioate (1:1)
The XLogP value of 1.5678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Heptadien-4-amine, 4-(2-propenyl)-, ethanedioate (1:1). The TPSA of 100.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,6-Heptadien-4-amine, 4-(2-propenyl)-, ethanedioate (1:1). Following Lipinski's Rule of Five, 1,6-Heptadien-4-amine, 4-(2-propenyl)-, ethanedioate (1:1) has 3 hydrogen bond donor(s) and 3 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 1,6-Heptadien-4-amine, 4-(2-propenyl)-, ethanedioate (1:1)?
The CAS number of 1,6-Heptadien-4-amine, 4-(2-propenyl)-, ethanedioate (1:1) is 56065-61-3.
What is the molecular formula of 1,6-Heptadien-4-amine, 4-(2-propenyl)-, ethanedioate (1:1)?
The molecular formula of 1,6-Heptadien-4-amine, 4-(2-propenyl)-, ethanedioate (1:1) is C12H19NO4.
What is the molecular weight of 1,6-Heptadien-4-amine, 4-(2-propenyl)-, ethanedioate (1:1)?
The molecular weight of 1,6-Heptadien-4-amine, 4-(2-propenyl)-, ethanedioate (1:1) is 241.13 g/mol.
Where can I buy 1,6-Heptadien-4-amine, 4-(2-propenyl)-, ethanedioate (1:1)?
You can request a quote for 1,6-Heptadien-4-amine, 4-(2-propenyl)-, ethanedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Heptadien-4-amine, 4-(2-propenyl)-, ethanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Heptadien-4-amine, 4-(2-propenyl)-, ethanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.