N-benzyl-N-isobutylamine
TL;DR: N-benzyl-N-isobutylamine (CAS 42882-67-7) is a chemical compound with molecular formula C24H34N2O7 and molecular weight 462.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;ethyl 4-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]piperazine-1-carboxylate
Also Known As: N-benzyl-N-isobutylamine, C20H30N2O3.C4H4O4.1/2H2O, C20-H30-N2-O3.C4-H4-O4.1/2H2-O, 1-Piperazinecarboxylic acid, 4-(2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)ethyl)-, ethyl ester, (Z)-2-butenedioate, hydrate (2:2:1), (E)-but-2-enedioic acid,ethyl 4-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]piperazine-1-carboxylate
| Molecular Formula | C24H34N2O7 |
|---|---|
| Molecular Weight | 462.24 g/mol |
| LogP | 2.4748 |
| Topological Polar Surface Area | 127.61 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.2366 |
| Heavy Atoms | 33 |
| Complexity | 816.1017 |
Chemical Identifiers
| CAS Number | 42882-67-7 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC(C2=CC3=C(CCCCC3)C=C2)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
N-benzyl-N-isobutylamine (CAS 42882-67-7), with molecular formula C24H34N2O7 and molecular weight 462.24 g/mol. IUPAC: (E)-but-2-enedioic acid;ethyl 4-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]piperazine-1-carboxylate.
Chemical Property Profile of N-benzyl-N-isobutylamine
Property Insights of N-benzyl-N-isobutylamine
The XLogP value of 2.4748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-N-isobutylamine. The TPSA of 127.61 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-N-isobutylamine. Following Lipinski's Rule of Five, N-benzyl-N-isobutylamine has 3 hydrogen bond donor(s) and 6 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-isobutylamine?
The CAS number of N-benzyl-N-isobutylamine is 42882-67-7.
What is the molecular formula of N-benzyl-N-isobutylamine?
The molecular formula of N-benzyl-N-isobutylamine is C24H34N2O7.
What is the molecular weight of N-benzyl-N-isobutylamine?
The molecular weight of N-benzyl-N-isobutylamine is 462.24 g/mol.
Where can I buy N-benzyl-N-isobutylamine?
You can request a quote for N-benzyl-N-isobutylamine 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-isobutylamine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-N-isobutylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.