N1-(2-Aminoethyl)-1,4-butanediamine
TL;DR: N1-(2-Aminoethyl)-1,4-butanediamine (CAS 35513-87-2) is a chemical compound with molecular formula C6H17N3 and molecular weight 131.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(2-aminoethyl)butane-1,4-diamine
Also Known As: N-(2-Aminoethyl)butane-1,4-diamine, 2-AEDAB, 1,4,9-triazano-nane, N- butane-1,4-diamine, N-(2-Aminoethyl)-1,4-diaminobutane
| Molecular Formula | C6H17N3 |
|---|---|
| Molecular Weight | 131.14 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 131.14224 |
| Heavy Atoms | 9 |
| Complexity | 47.0 |
Chemical Identifiers
| CAS Number | 35513-87-2 |
|---|---|
| SMILES | C(CCNCCN)CN |
| InChIKey | VRPPEXGZBZBARW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N1-(2-Aminoethyl)-1,4-butanediamine (CAS 35513-87-2), with molecular formula C6H17N3 and molecular weight 131.14 g/mol. IUPAC: N'-(2-aminoethyl)butane-1,4-diamine.
Chemical Property Profile of N1-(2-Aminoethyl)-1,4-butanediamine
Property Insights of N1-(2-Aminoethyl)-1,4-butanediamine
The XLogP value of -1.4 indicates that N1-(2-Aminoethyl)-1,4-butanediamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N1-(2-Aminoethyl)-1,4-butanediamine. Following Lipinski's Rule of Five, N1-(2-Aminoethyl)-1,4-butanediamine 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 N1-(2-Aminoethyl)-1,4-butanediamine?
The CAS number of N1-(2-Aminoethyl)-1,4-butanediamine is 35513-87-2.
What is the molecular formula of N1-(2-Aminoethyl)-1,4-butanediamine?
The molecular formula of N1-(2-Aminoethyl)-1,4-butanediamine is C6H17N3.
What is the molecular weight of N1-(2-Aminoethyl)-1,4-butanediamine?
The molecular weight of N1-(2-Aminoethyl)-1,4-butanediamine is 131.14 g/mol.
Where can I buy N1-(2-Aminoethyl)-1,4-butanediamine?
You can request a quote for N1-(2-Aminoethyl)-1,4-butanediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-(2-Aminoethyl)-1,4-butanediamine?
Yes, KEHONG BIO provides custom synthesis services for N1-(2-Aminoethyl)-1,4-butanediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.