Phenethylamine, N,N-bis(2-chloroethyl)-
TL;DR: Phenethylamine, N,N-bis(2-chloroethyl)- (CAS 1138-79-0) is a chemical compound with molecular formula C12H17Cl2N and molecular weight 245.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-2-phenylethanamine
Also Known As: N,N-Bis(2-chloroethyl)phenethylamine, N,N-Bis(2-chloroethyl)benzeneethanamine, N-Phenethyl-N,N-di-2-chloroethylamine, Phenethylamine, N,N-bis(2-chloroethyl)-, N,N-bis(2-chloroethyl)-2-phenylethanamine
| Molecular Formula | C12H17Cl2N |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 245.0738 |
| Heavy Atoms | 15 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 1138-79-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN(CCCl)CCCl |
| InChIKey | NSYROPDQXYIHMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenethylamine, N,N-bis(2-chloroethyl)- (CAS 1138-79-0), with molecular formula C12H17Cl2N and molecular weight 245.07 g/mol. IUPAC: N,N-bis(2-chloroethyl)-2-phenylethanamine.
Chemical Property Profile of Phenethylamine, N,N-bis(2-chloroethyl)-
Property Insights of Phenethylamine, N,N-bis(2-chloroethyl)-
The XLogP value of 3.4 indicates that Phenethylamine, 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, Phenethylamine, N,N-bis(2-chloroethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethylamine, 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 Phenethylamine, N,N-bis(2-chloroethyl)-?
The CAS number of Phenethylamine, N,N-bis(2-chloroethyl)- is 1138-79-0.
What is the molecular formula of Phenethylamine, N,N-bis(2-chloroethyl)-?
The molecular formula of Phenethylamine, N,N-bis(2-chloroethyl)- is C12H17Cl2N.
What is the molecular weight of Phenethylamine, N,N-bis(2-chloroethyl)-?
The molecular weight of Phenethylamine, N,N-bis(2-chloroethyl)- is 245.07 g/mol.
Where can I buy Phenethylamine, N,N-bis(2-chloroethyl)-?
You can request a quote for Phenethylamine, 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 Phenethylamine, N,N-bis(2-chloroethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Phenethylamine, N,N-bis(2-chloroethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.