3-(4-Chlorophenyl)-N-propylbutan-2-amine--hydrogen chloride (1/1)
TL;DR: 3-(4-Chlorophenyl)-N-propylbutan-2-amine--hydrogen chloride (1/1) (CAS 23114-47-8) is a chemical compound with molecular formula C13H21Cl2N and molecular weight 261.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-N-propylbutan-2-amine;hydrochloride
Also Known As: 3-(p-Chlorophenyl)-N-propyl-2-butylamine hydrochloride, 2-Butylamine, 3-(p-chlorophenyl)-N-propyl-, hydrochloride, 3-(4-chlorophenyl)-n-propylbutan-2-amine hydrochloride(1:1), 3-(4-chlorophenyl)-N-propylbutan-2-amine hydrochloride, 3-(4-Chlorophenyl)-N-propylbutan-2-amine--hydrogen chloride (1/1)
| Molecular Formula | C13H21Cl2N |
|---|---|
| Molecular Weight | 261.11 g/mol |
| LogP | 4.2534 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.1051 |
| Heavy Atoms | 16 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 23114-47-8 |
|---|---|
| SMILES | CCCNC(C)C(C)C1=CC=C(C=C1)Cl.Cl |
| InChIKey | QRUGVNBBUDARQP-UHFFFAOYSA-N |
Product Overview
3-(4-Chlorophenyl)-N-propylbutan-2-amine--hydrogen chloride (1/1) (CAS 23114-47-8), with molecular formula C13H21Cl2N and molecular weight 261.11 g/mol. IUPAC: 3-(4-chlorophenyl)-N-propylbutan-2-amine;hydrochloride.
Chemical Property Profile of 3-(4-Chlorophenyl)-N-propylbutan-2-amine--hydrogen chloride (1/1)
Property Insights of 3-(4-Chlorophenyl)-N-propylbutan-2-amine--hydrogen chloride (1/1)
The XLogP value of 4.2534 indicates that 3-(4-Chlorophenyl)-N-propylbutan-2-amine--hydrogen chloride (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, 3-(4-Chlorophenyl)-N-propylbutan-2-amine--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-N-propylbutan-2-amine--hydrogen chloride (1/1) has 2 hydrogen bond donor(s) and 1 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 3-(4-Chlorophenyl)-N-propylbutan-2-amine--hydrogen chloride (1/1)?
The CAS number of 3-(4-Chlorophenyl)-N-propylbutan-2-amine--hydrogen chloride (1/1) is 23114-47-8.
What is the molecular formula of 3-(4-Chlorophenyl)-N-propylbutan-2-amine--hydrogen chloride (1/1)?
The molecular formula of 3-(4-Chlorophenyl)-N-propylbutan-2-amine--hydrogen chloride (1/1) is C13H21Cl2N.
What is the molecular weight of 3-(4-Chlorophenyl)-N-propylbutan-2-amine--hydrogen chloride (1/1)?
The molecular weight of 3-(4-Chlorophenyl)-N-propylbutan-2-amine--hydrogen chloride (1/1) is 261.11 g/mol.
Where can I buy 3-(4-Chlorophenyl)-N-propylbutan-2-amine--hydrogen chloride (1/1)?
You can request a quote for 3-(4-Chlorophenyl)-N-propylbutan-2-amine--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-N-propylbutan-2-amine--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-N-propylbutan-2-amine--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.