N-Benzylputrescine
TL;DR: N-Benzylputrescine (CAS 29867-04-7) is a chemical compound with molecular formula C11H18N2 and molecular weight 178.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-benzylbutane-1,4-diamine
Also Known As: N-Benzylputrescine, N'-benzylbutane-1,4-diamine, N-benzyl-1,4-butanediamine, N-Benzyl-1,4-diaminobutane, N(1)-benzyl-1,4-butanediamine
| Molecular Formula | C11H18N2 |
|---|---|
| Molecular Weight | 178.15 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 178.147 |
| Heavy Atoms | 13 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 29867-04-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCCCCN |
| InChIKey | OVCTWFIAXIDIJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Benzylputrescine (CAS 29867-04-7), with molecular formula C11H18N2 and molecular weight 178.15 g/mol. IUPAC: N'-benzylbutane-1,4-diamine.
Chemical Property Profile of N-Benzylputrescine
Property Insights of N-Benzylputrescine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzylputrescine. With a topological polar surface area (TPSA) of 38.1 Ų, N-Benzylputrescine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Benzylputrescine 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-Benzylputrescine?
The CAS number of N-Benzylputrescine is 29867-04-7.
What is the molecular formula of N-Benzylputrescine?
The molecular formula of N-Benzylputrescine is C11H18N2.
What is the molecular weight of N-Benzylputrescine?
The molecular weight of N-Benzylputrescine is 178.15 g/mol.
Where can I buy N-Benzylputrescine?
You can request a quote for N-Benzylputrescine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzylputrescine?
Yes, KEHONG BIO provides custom synthesis services for N-Benzylputrescine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.