TL;DR: 1,4-Benzodioxan-2-methylamine, N,N'-(1,1,4,4-tetramethylhexamethylene)bis- (CAS 100310-83-6) is a chemical compound with molecular formula C28H40N2O4 and molecular weight 468.2988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-N,6-N-bis(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,3,6-trimethylheptane-1,6-diamine
Also Known As: N,N'-(1,1,4,4-Tetramethylhexamethylene)bis(1,4-benzodioxan-2-methylamine), 1,4-BENZODIOXAN-2-METHYLAMINE, N,N'-(1,1,4,4-TETRAMETHYLHEXAMETHYLENE)BIS-, N,N'-Bis(1,4-benzodioxan-2-ylmethyl)-2,7-dimethyl-2,7-octane diamine dihydrochloride, 1-N,6-N-bis(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,3,6-trimethylheptane-1,6-diamine, 1,6-Heptanediamine,N1,N6-bis[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3,3,6-trimethyl-
| Molecular Formula | C28H40N2O4 |
| Molecular Weight | 468.2988 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 61.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 468.2988 Da |
| Heavy Atoms | 34 |
| Complexity | 613.0 |
| SMILES | CC(C)(CCC(C)(C)NCC1COC2=CC=CC=C2O1)CCNCC3COC4=CC=CC=C4O3 |
| InChIKey | DNWKBCPYWYBVEB-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 1,4-Benzodioxan-2-methylamine, N,N'-(1,1,4,4-tetramethylhexamethylene)bis- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Benzodioxan-2-methylamine, N,N'-(1,1,4,4-tetramethylhexamethylene)bis-. Following Lipinski's Rule of Five, 1,4-Benzodioxan-2-methylamine, N,N'-(1,1,4,4-tetramethylhexamethylene)bis- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,4-Benzodioxan-2-methylamine, N,N'-(1,1,4,4-tetramethylhexamethylene)bis- is 100310-83-6.
The molecular formula of 1,4-Benzodioxan-2-methylamine, N,N'-(1,1,4,4-tetramethylhexamethylene)bis- is C28H40N2O4.
The molecular weight of 1,4-Benzodioxan-2-methylamine, N,N'-(1,1,4,4-tetramethylhexamethylene)bis- is 468.2988 g/mol.
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