1-nitro-9-(2'-N,N-dimethylaminoethyl)aminoanthracene dihydrochloride
TL;DR: 1-nitro-9-(2'-N,N-dimethylaminoethyl)aminoanthracene dihydrochloride (CAS 13314-96-0) is a chemical compound with molecular formula C18H21Cl2N3O2 and molecular weight 381.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-dimethyl-N-(1-nitroanthracen-9-yl)ethane-1,2-diamine;dihydrochloride
Also Known As: C-337, 1-Nitro-9-(2'-N,N-dimethylaminoethyl)aminoanthracene dihydrochloride, C 337, N,N-Dimethyl-N'-(1-nitro-9-anthracenyl)-1,2-ethanediamine, dihydrochloride, N',N'-dimethyl-N-(1-nitroanthracen-9-yl)ethane-1,2-diamine;dihydrochloride
| Molecular Formula | C18H21Cl2N3O2 |
|---|---|
| Molecular Weight | 381.10 g/mol |
| LogP | 4.7183 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.10107 |
| Heavy Atoms | 25 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 13314-96-0 |
|---|---|
| SMILES | CN(C)CCNC1=C2C(=CC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl.Cl |
| InChIKey | HAWTXCQDAFSVBQ-UHFFFAOYSA-N |
Product Overview
1-nitro-9-(2'-N,N-dimethylaminoethyl)aminoanthracene dihydrochloride (CAS 13314-96-0), with molecular formula C18H21Cl2N3O2 and molecular weight 381.10 g/mol. IUPAC: N',N'-dimethyl-N-(1-nitroanthracen-9-yl)ethane-1,2-diamine;dihydrochloride.
Chemical Property Profile of 1-nitro-9-(2'-N,N-dimethylaminoethyl)aminoanthracene dihydrochloride
Property Insights of 1-nitro-9-(2'-N,N-dimethylaminoethyl)aminoanthracene dihydrochloride
The XLogP value of 4.7183 indicates that 1-nitro-9-(2'-N,N-dimethylaminoethyl)aminoanthracene dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-nitro-9-(2'-N,N-dimethylaminoethyl)aminoanthracene dihydrochloride. Following Lipinski's Rule of Five, 1-nitro-9-(2'-N,N-dimethylaminoethyl)aminoanthracene dihydrochloride has 3 hydrogen bond donor(s) and 4 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 1-nitro-9-(2'-N,N-dimethylaminoethyl)aminoanthracene dihydrochloride?
The CAS number of 1-nitro-9-(2'-N,N-dimethylaminoethyl)aminoanthracene dihydrochloride is 13314-96-0.
What is the molecular formula of 1-nitro-9-(2'-N,N-dimethylaminoethyl)aminoanthracene dihydrochloride?
The molecular formula of 1-nitro-9-(2'-N,N-dimethylaminoethyl)aminoanthracene dihydrochloride is C18H21Cl2N3O2.
What is the molecular weight of 1-nitro-9-(2'-N,N-dimethylaminoethyl)aminoanthracene dihydrochloride?
The molecular weight of 1-nitro-9-(2'-N,N-dimethylaminoethyl)aminoanthracene dihydrochloride is 381.10 g/mol.
Where can I buy 1-nitro-9-(2'-N,N-dimethylaminoethyl)aminoanthracene dihydrochloride?
You can request a quote for 1-nitro-9-(2'-N,N-dimethylaminoethyl)aminoanthracene dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-nitro-9-(2'-N,N-dimethylaminoethyl)aminoanthracene dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-nitro-9-(2'-N,N-dimethylaminoethyl)aminoanthracene dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.