TL;DR: N~1~,N~1~-Dimethyl-1-(naphthalen-1-yl)ethane-1,2-diamine--hydrogen bromide (1/2) (CAS 101931-21-9) is a chemical compound with molecular formula C14H20Br2N2 and molecular weight 373.99933 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-azaniumyl-1-naphthalen-1-ylethyl)-dimethylazanium dibromide
Also Known As: 1-NAPHTHALENEETHYLAMINE, beta-DIMETHYLAMINO-, DIHYDROBROMIDE, beta-Dimethylamino-1-naphthaleneethylamine dihydrobromide, N,N-Dimethyl-1-(1-naphthyl)ethylenediamine dihydrobromide, (2-azaniumyl-1-naphthalen-1-ylethyl)-dimethylazanium;dibromide, (2-azaniumyl-1-naphthalen-1-ylethyl)-dimethylazanium dibromide
| Molecular Formula | C14H20Br2N2 |
| Molecular Weight | 373.99933 g/mol |
| XLogP | -5.72 |
| Topological Polar Surface Area (TPSA) | 32.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.99728 Da |
| Heavy Atoms | 18 |
| Complexity | 215.0 |
| SMILES | C[NH+](C)C(C[NH3+])C1=CC=CC2=CC=CC=C21.[Br-].[Br-] |
| InChIKey | LHMKWOIURHALHZ-UHFFFAOYSA-N |
The XLogP value of -5.72 indicates that N~1~,N~1~-Dimethyl-1-(naphthalen-1-yl)ethane-1,2-diamine--hydrogen bromide (1/2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.1 Ų, N~1~,N~1~-Dimethyl-1-(naphthalen-1-yl)ethane-1,2-diamine--hydrogen bromide (1/2) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N~1~,N~1~-Dimethyl-1-(naphthalen-1-yl)ethane-1,2-diamine--hydrogen bromide (1/2) has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N~1~,N~1~-Dimethyl-1-(naphthalen-1-yl)ethane-1,2-diamine--hydrogen bromide (1/2) is 101931-21-9.
The molecular formula of N~1~,N~1~-Dimethyl-1-(naphthalen-1-yl)ethane-1,2-diamine--hydrogen bromide (1/2) is C14H20Br2N2.
The molecular weight of N~1~,N~1~-Dimethyl-1-(naphthalen-1-yl)ethane-1,2-diamine--hydrogen bromide (1/2) is 373.99933 g/mol.
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