1-Amino-6-nitrobenzo(a)pyrene
TL;DR: 1-Amino-6-nitrobenzo(a)pyrene (CAS 132482-43-0) is a chemical compound with molecular formula C20H12N2O2 and molecular weight 312.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-nitrobenzo[a]pyren-1-amine
Also Known As: 1-Amino-6-nitrobenzo(a)pyrene, 6-nitrobenzo[a]pyren-1-amine, 6-nitrobenzo[pqr]tetraphen-1-amine, tert-butyl (S)-2-(((methylsulfonyl)oxy)methyl)pyrrolidine-1-carboxylate, 8-nitropentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,8,10,12,14,16,19-decaen-15-amine
Technical Specifications
| Molecular Formula | C20H12N2O2 |
| Molecular Weight | 312.08987 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 312.08987 Da |
| Heavy Atoms | 24 |
| Complexity | 518.0 |
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C2[N+](=O)[O-])C=CC5=C4C(=C(C=C5)N)C=C3 |
| InChIKey | RPGRSCMHUVPJSO-UHFFFAOYSA-N |
Chemical Property Profile of 1-Amino-6-nitrobenzo(a)pyrene
Property Insights of 1-Amino-6-nitrobenzo(a)pyrene
The XLogP value of 5.4 indicates that 1-Amino-6-nitrobenzo(a)pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Amino-6-nitrobenzo(a)pyrene. Following Lipinski's Rule of Five, 1-Amino-6-nitrobenzo(a)pyrene has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-Amino-6-nitrobenzo(a)pyrene?
The CAS number of 1-Amino-6-nitrobenzo(a)pyrene is 132482-43-0.
What is the molecular formula of 1-Amino-6-nitrobenzo(a)pyrene?
The molecular formula of 1-Amino-6-nitrobenzo(a)pyrene is C20H12N2O2.
What is the molecular weight of 1-Amino-6-nitrobenzo(a)pyrene?
The molecular weight of 1-Amino-6-nitrobenzo(a)pyrene is 312.08987 g/mol.
Where can I buy 1-Amino-6-nitrobenzo(a)pyrene?
You can request a quote for 1-Amino-6-nitrobenzo(a)pyrene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Amino-6-nitrobenzo(a)pyrene?
Yes, CoreyChem provides custom synthesis services for 1-Amino-6-nitrobenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.