Benzenamine, compd. with 1,3,5-trinitrobenzene (1:1)
TL;DR: Benzenamine, compd. with 1,3,5-trinitrobenzene (1:1) (CAS 3101-79-9) is a chemical compound with molecular formula C12H10N4O6 and molecular weight 306.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
aniline;1,3,5-trinitrobenzene
Also Known As: Caswell No. 894, Trinitrobenzene-aniline complex, Trinitrobenzene - aniline complex, 1,3,5-Trinitrobenzene aniline salt, Aniline complex with trinitrobenzene
| Molecular Formula | C12H10N4O6 |
|---|---|
| Molecular Weight | 306.06 g/mol |
| LogP | 2.68 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 306.06003 |
| Heavy Atoms | 22 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 3101-79-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | OWNIKMONWNDTAV-UHFFFAOYSA-N |
Product Overview
Benzenamine, compd. with 1,3,5-trinitrobenzene (1:1) (CAS 3101-79-9), with molecular formula C12H10N4O6 and molecular weight 306.06 g/mol. IUPAC: aniline;1,3,5-trinitrobenzene.
Chemical Property Profile of Benzenamine, compd. with 1,3,5-trinitrobenzene (1:1)
Property Insights of Benzenamine, compd. with 1,3,5-trinitrobenzene (1:1)
The XLogP value of 2.68 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenamine, compd. with 1,3,5-trinitrobenzene (1:1). The TPSA of 163.0 Ų indicates high polarity, suggesting Benzenamine, compd. with 1,3,5-trinitrobenzene (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenamine, compd. with 1,3,5-trinitrobenzene (1:1) has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenamine, compd. with 1,3,5-trinitrobenzene (1:1)?
The CAS number of Benzenamine, compd. with 1,3,5-trinitrobenzene (1:1) is 3101-79-9.
What is the molecular formula of Benzenamine, compd. with 1,3,5-trinitrobenzene (1:1)?
The molecular formula of Benzenamine, compd. with 1,3,5-trinitrobenzene (1:1) is C12H10N4O6.
What is the molecular weight of Benzenamine, compd. with 1,3,5-trinitrobenzene (1:1)?
The molecular weight of Benzenamine, compd. with 1,3,5-trinitrobenzene (1:1) is 306.06 g/mol.
Where can I buy Benzenamine, compd. with 1,3,5-trinitrobenzene (1:1)?
You can request a quote for Benzenamine, compd. with 1,3,5-trinitrobenzene (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, compd. with 1,3,5-trinitrobenzene (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, compd. with 1,3,5-trinitrobenzene (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.