Benzenepropanamine, N,N-bis(2-chloroethyl)-
TL;DR: Benzenepropanamine, N,N-bis(2-chloroethyl)- (CAS 100620-68-6) is a chemical compound with molecular formula C13H19Cl2N and molecular weight 259.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-3-phenylpropan-1-amine
Also Known As: Benzenepropanamine, N,N-bis(2-chloroethyl)-, N,N-bis(2-chloroethyl)-3-phenylpropan-1-amine, benzene, [2-N,N-bis(2-chloroethyl)]aminopropyl-, RefChem:325107
| Molecular Formula | C13H19Cl2N |
|---|---|
| Molecular Weight | 259.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 259.08945 |
| Heavy Atoms | 16 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 100620-68-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCN(CCCl)CCCl |
| InChIKey | APMORDWSEGHCAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenepropanamine, N,N-bis(2-chloroethyl)- (CAS 100620-68-6), with molecular formula C13H19Cl2N and molecular weight 259.09 g/mol. IUPAC: N,N-bis(2-chloroethyl)-3-phenylpropan-1-amine.
Chemical Property Profile of Benzenepropanamine, N,N-bis(2-chloroethyl)-
Property Insights of Benzenepropanamine, N,N-bis(2-chloroethyl)-
The XLogP value of 3.9 indicates that Benzenepropanamine, N,N-bis(2-chloroethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, Benzenepropanamine, N,N-bis(2-chloroethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanamine, N,N-bis(2-chloroethyl)- has 0 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 Benzenepropanamine, N,N-bis(2-chloroethyl)-?
The CAS number of Benzenepropanamine, N,N-bis(2-chloroethyl)- is 100620-68-6.
What is the molecular formula of Benzenepropanamine, N,N-bis(2-chloroethyl)-?
The molecular formula of Benzenepropanamine, N,N-bis(2-chloroethyl)- is C13H19Cl2N.
What is the molecular weight of Benzenepropanamine, N,N-bis(2-chloroethyl)-?
The molecular weight of Benzenepropanamine, N,N-bis(2-chloroethyl)- is 259.09 g/mol.
Where can I buy Benzenepropanamine, N,N-bis(2-chloroethyl)-?
You can request a quote for Benzenepropanamine, N,N-bis(2-chloroethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanamine, N,N-bis(2-chloroethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanamine, N,N-bis(2-chloroethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.