4-(六氢-1H-氮杂环庚-1-基)苯胺
TL;DR: 4-(六氢-1H-氮杂环庚-1-基)苯胺 (CAS 57356-18-0) is a chemical compound with molecular formula C12H18N2 and molecular weight 190.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(六氢-1H-氮杂环庚-1-基)苯胺
4-(azepan-1-yl)aniline
Also Known As: 4-(azepan-1-yl)aniline, 4-(1-Azepanyl)aniline, azepanylaniline, 4-azepanylaniline, (4-azepan-1-ylphenyl)amine
| Molecular Formula | C12H18N2 |
|---|---|
| Molecular Weight | 190.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.147 |
| Heavy Atoms | 14 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 57356-18-0 |
|---|---|
| SMILES | C1CCCN(CC1)C2=CC=C(C=C2)N |
| InChIKey | RDUONPQXZRHVKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(六氢-1H-氮杂环庚-1-基)苯胺 (CAS 57356-18-0), with molecular formula C12H18N2 and molecular weight 190.15 g/mol. IUPAC: 4-(azepan-1-yl)aniline.
Chemical Property Profile of 4-(六氢-1H-氮杂环庚-1-基)苯胺
Property Insights of 4-(六氢-1H-氮杂环庚-1-基)苯胺
The XLogP value of 3.1 indicates that 4-(六氢-1H-氮杂环庚-1-基)苯胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.3 Ų, 4-(六氢-1H-氮杂环庚-1-基)苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(六氢-1H-氮杂环庚-1-基)苯胺 has 1 hydrogen bond donor(s) and 2 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 4-(六氢-1H-氮杂环庚-1-基)苯胺?
The CAS number of 4-(六氢-1H-氮杂环庚-1-基)苯胺 is 57356-18-0.
What is the molecular formula of 4-(六氢-1H-氮杂环庚-1-基)苯胺?
The molecular formula of 4-(六氢-1H-氮杂环庚-1-基)苯胺 is C12H18N2.
What is the molecular weight of 4-(六氢-1H-氮杂环庚-1-基)苯胺?
The molecular weight of 4-(六氢-1H-氮杂环庚-1-基)苯胺 is 190.15 g/mol.
Where can I buy 4-(六氢-1H-氮杂环庚-1-基)苯胺?
You can request a quote for 4-(六氢-1H-氮杂环庚-1-基)苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(六氢-1H-氮杂环庚-1-基)苯胺?
Yes, KEHONG BIO provides custom synthesis services for 4-(六氢-1H-氮杂环庚-1-基)苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.