N-异戊基-1,4-丁二胺
TL;DR: N-异戊基-1,4-丁二胺 (CAS 91391-22-9) is a chemical compound with molecular formula C9H22N2 and molecular weight 158.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-异戊基-1,4-丁二胺
N'-(3-methylbutyl)butane-1,4-diamine
Also Known As: Isoamylputrescin, N-Isopentyl-1,4-butanediamine, 1,4-BUTANEDIAMINE, N-ISOPENTYL-, N-Isopentyltetramethylenediamine, N-(3-methylbutyl)butane-1,4-diamine
| Molecular Formula | C9H22N2 |
|---|---|
| Molecular Weight | 158.18 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 158.1783 |
| Heavy Atoms | 11 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 91391-22-9 |
|---|---|
| SMILES | CC(C)CCNCCCCN |
| InChIKey | PWKFXMIDHMQCMX-UHFFFAOYSA-N |
Product Overview
N-异戊基-1,4-丁二胺 (CAS 91391-22-9), with molecular formula C9H22N2 and molecular weight 158.18 g/mol. IUPAC: N'-(3-methylbutyl)butane-1,4-diamine.
Chemical Property Profile of N-异戊基-1,4-丁二胺
Property Insights of N-异戊基-1,4-丁二胺
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-异戊基-1,4-丁二胺. With a topological polar surface area (TPSA) of 38.1 Ų, N-异戊基-1,4-丁二胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-异戊基-1,4-丁二胺 has 2 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 N-异戊基-1,4-丁二胺?
The CAS number of N-异戊基-1,4-丁二胺 is 91391-22-9.
What is the molecular formula of N-异戊基-1,4-丁二胺?
The molecular formula of N-异戊基-1,4-丁二胺 is C9H22N2.
What is the molecular weight of N-异戊基-1,4-丁二胺?
The molecular weight of N-异戊基-1,4-丁二胺 is 158.18 g/mol.
Where can I buy N-异戊基-1,4-丁二胺?
You can request a quote for N-异戊基-1,4-丁二胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-异戊基-1,4-丁二胺?
Yes, KEHONG BIO provides custom synthesis services for N-异戊基-1,4-丁二胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.