N-ethyl-2-nitro-5-(pyrrolidin-1-yl)aniline
TL;DR: N-ethyl-2-nitro-5-(pyrrolidin-1-yl)aniline (CAS 597545-61-4) is a chemical compound with molecular formula C12H17N3O2 and molecular weight 235.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-2-nitro-5-pyrrolidin-1-ylaniline
Also Known As: N-ethyl-2-nitro-5-(pyrrolidin-1-yl)aniline, N-ethyl-2-nitro-5-pyrrolidin-1-ylaniline, N-ethyl-2-nitro-5-(1-pyrrolidinyl)aniline, BENZENAMINE, N-ETHYL-2-NITRO-5-(1-PYRROLIDINYL)-, Benzenamine, N-ethyl-2-nitro-5-(1-pyrrolidinyl)- (9CI)
| Molecular Formula | C12H17N3O2 |
|---|---|
| Molecular Weight | 235.13 g/mol |
| LogP | 2.6268 |
| Topological Polar Surface Area | 58.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.13208 |
| Heavy Atoms | 17 |
| Complexity | 414.21182 |
Chemical Identifiers
| CAS Number | 597545-61-4 |
|---|---|
| SMILES | CCNC1=C(C=CC(=C1)N2CCCC2)[N+](=O)[O-] |
Product Overview
N-ethyl-2-nitro-5-(pyrrolidin-1-yl)aniline (CAS 597545-61-4), with molecular formula C12H17N3O2 and molecular weight 235.13 g/mol. IUPAC: N-ethyl-2-nitro-5-pyrrolidin-1-ylaniline.
Chemical Property Profile of N-ethyl-2-nitro-5-(pyrrolidin-1-yl)aniline
Property Insights of N-ethyl-2-nitro-5-(pyrrolidin-1-yl)aniline
The XLogP value of 2.6268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethyl-2-nitro-5-(pyrrolidin-1-yl)aniline. With a topological polar surface area (TPSA) of 58.41 Ų, N-ethyl-2-nitro-5-(pyrrolidin-1-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-ethyl-2-nitro-5-(pyrrolidin-1-yl)aniline has 1 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 N-ethyl-2-nitro-5-(pyrrolidin-1-yl)aniline?
The CAS number of N-ethyl-2-nitro-5-(pyrrolidin-1-yl)aniline is 597545-61-4.
What is the molecular formula of N-ethyl-2-nitro-5-(pyrrolidin-1-yl)aniline?
The molecular formula of N-ethyl-2-nitro-5-(pyrrolidin-1-yl)aniline is C12H17N3O2.
What is the molecular weight of N-ethyl-2-nitro-5-(pyrrolidin-1-yl)aniline?
The molecular weight of N-ethyl-2-nitro-5-(pyrrolidin-1-yl)aniline is 235.13 g/mol.
Where can I buy N-ethyl-2-nitro-5-(pyrrolidin-1-yl)aniline?
You can request a quote for N-ethyl-2-nitro-5-(pyrrolidin-1-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ethyl-2-nitro-5-(pyrrolidin-1-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-2-nitro-5-(pyrrolidin-1-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.