TL;DR: [1,1'-Biphenyl]-3,3'-diamine, 2,2',4,4',6,6'-hexanitro- (CAS 17215-44-0) is a chemical compound with molecular formula C12H6N8O12 and molecular weight 454.01053 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-amino-2,4,6-trinitrophenyl)-2,4,6-trinitroaniline
Also Known As: Dipam, Dipiramide, Dipicramide, DIPM, diaminohexanitrobiphenyl
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H6N8O12 |
| Molecular Weight | 454.01053 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 327.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 1 |
| Exact Mass | 454.01053 Da |
| Heavy Atoms | 32 |
| Complexity | 753.0 |
| SMILES | C1=C(C(=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])C2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | QTYYIZYAWHBAHQ-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1,1'-Biphenyl]-3,3'-diamine, 2,2',4,4',6,6'-hexanitro-. The TPSA of 327.0 Ų indicates high polarity, suggesting [1,1'-Biphenyl]-3,3'-diamine, 2,2',4,4',6,6'-hexanitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [1,1'-Biphenyl]-3,3'-diamine, 2,2',4,4',6,6'-hexanitro- has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of [1,1'-Biphenyl]-3,3'-diamine, 2,2',4,4',6,6'-hexanitro- is 17215-44-0.
The molecular formula of [1,1'-Biphenyl]-3,3'-diamine, 2,2',4,4',6,6'-hexanitro- is C12H6N8O12.
The molecular weight of [1,1'-Biphenyl]-3,3'-diamine, 2,2',4,4',6,6'-hexanitro- is 454.01053 g/mol.
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