N,N-Bis(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1)
TL;DR: N,N-Bis(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1) (CAS 100427-81-4) is a chemical compound with molecular formula C12H18Cl3N and molecular weight 281.05048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2-chloroethyl)-(1-phenylethyl)azanium chloride
Also Known As: N,N-Bis(2-chloroethyl)-alpha-methylbenzylamine hydrochloride, bis(2-chloroethyl)-(1-phenylethyl)azanium chloride, BENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-alpha-METHYL-, HYDROCHLORIDE, n,n-bis(2-chloroethyl)-1-phenylethanaminium chloride, N,N-Bis(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C12H18Cl3N |
| Molecular Weight | 281.05048 g/mol |
| XLogP | -0.89 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 281.05048 Da |
| Heavy Atoms | 16 |
| Complexity | 152.0 |
| SMILES | CC(C1=CC=CC=C1)[NH+](CCCl)CCCl.[Cl-] |
| InChIKey | NVFRRXNOTODTTJ-UHFFFAOYSA-N |
Chemical Property Profile of N,N-Bis(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1)
Property Insights of N,N-Bis(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1)
The XLogP value of -0.89 indicates that N,N-Bis(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 4.4 Ų, N,N-Bis(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Bis(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1) has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N,N-Bis(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1)?
The CAS number of N,N-Bis(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1) is 100427-81-4.
What is the molecular formula of N,N-Bis(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1)?
The molecular formula of N,N-Bis(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1) is C12H18Cl3N.
What is the molecular weight of N,N-Bis(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1)?
The molecular weight of N,N-Bis(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1) is 281.05048 g/mol.
Where can I buy N,N-Bis(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1)?
You can request a quote for N,N-Bis(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N-Bis(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1)?
Yes, CoreyChem provides custom synthesis services for N,N-Bis(2-chloroethyl)-1-phenylethan-1-amine--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.