1,3-Benzenediamine, N1,N3-bis(1,4-dimethylpentyl)-4-methyl-
TL;DR: 1,3-Benzenediamine, N1,N3-bis(1,4-dimethylpentyl)-4-methyl- (CAS 54061-05-1) is a chemical compound with molecular formula C21H38N2 and molecular weight 318.3035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-1-N,3-N-bis(5-methylhexan-2-yl)benzene-1,3-diamine
Also Known As: 2-(9-Anthryl)ethanol, N,N'-Bis(1,4-dimethylpentyl)-2,4-toluenediamine, N,N'-Bis -4-methyl-1,3-benzenediamine, 1,3-Benzenediamine, N,N'-bis(1,4-dimethylpentyl)-4-methyl-, 1,3-Benzenediamine, N1,N3-bis(1,4-dimethylpentyl)-4-methyl-
Technical Specifications
| Molecular Formula | C21H38N2 |
| Molecular Weight | 318.3035 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 318.3035 Da |
| Heavy Atoms | 23 |
| Complexity | 300.0 |
| SMILES | CC1=C(C=C(C=C1)NC(C)CCC(C)C)NC(C)CCC(C)C |
| InChIKey | ZJQSPHVCYCGKIQ-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Benzenediamine, N1,N3-bis(1,4-dimethylpentyl)-4-methyl-
Property Insights of 1,3-Benzenediamine, N1,N3-bis(1,4-dimethylpentyl)-4-methyl-
The XLogP value of 7.2 indicates that 1,3-Benzenediamine, N1,N3-bis(1,4-dimethylpentyl)-4-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.1 Ų, 1,3-Benzenediamine, N1,N3-bis(1,4-dimethylpentyl)-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzenediamine, N1,N3-bis(1,4-dimethylpentyl)-4-methyl- has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,3-Benzenediamine, N1,N3-bis(1,4-dimethylpentyl)-4-methyl-?
The CAS number of 1,3-Benzenediamine, N1,N3-bis(1,4-dimethylpentyl)-4-methyl- is 54061-05-1.
What is the molecular formula of 1,3-Benzenediamine, N1,N3-bis(1,4-dimethylpentyl)-4-methyl-?
The molecular formula of 1,3-Benzenediamine, N1,N3-bis(1,4-dimethylpentyl)-4-methyl- is C21H38N2.
What is the molecular weight of 1,3-Benzenediamine, N1,N3-bis(1,4-dimethylpentyl)-4-methyl-?
The molecular weight of 1,3-Benzenediamine, N1,N3-bis(1,4-dimethylpentyl)-4-methyl- is 318.3035 g/mol.
Where can I buy 1,3-Benzenediamine, N1,N3-bis(1,4-dimethylpentyl)-4-methyl-?
You can request a quote for 1,3-Benzenediamine, N1,N3-bis(1,4-dimethylpentyl)-4-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Benzenediamine, N1,N3-bis(1,4-dimethylpentyl)-4-methyl-?
Yes, CoreyChem provides custom synthesis services for 1,3-Benzenediamine, N1,N3-bis(1,4-dimethylpentyl)-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.