3-(4,5-Dihydro-1H-imidazol-2-yl)aniline monohydrochloride
TL;DR: 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline monohydrochloride (CAS 94213-44-2) is a chemical compound with molecular formula C9H12ClN3 and molecular weight 197.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,5-dihydro-1H-imidazol-2-yl)aniline;hydrochloride
Also Known As: EINECS 258-365-9, EINECS 303-748-9, 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline monohydrochloride, exo-2-Cyanobicyclo[2,2,1]heptan-2-yl-acetat, 3-(4,5-dihydro-1H-imidazol-2-yl)aniline hydrochloride
| Molecular Formula | C9H12ClN3 |
|---|---|
| Molecular Weight | 197.07 g/mol |
| LogP | 1.0404 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.07198 |
| Heavy Atoms | 13 |
| Complexity | 322.39078 |
Chemical Identifiers
| CAS Number | 94213-44-2 |
|---|---|
| SMILES | C1CN=C(N1)C2=CC(=CC=C2)N.Cl |
Product Overview
3-(4,5-Dihydro-1H-imidazol-2-yl)aniline monohydrochloride (CAS 94213-44-2), with molecular formula C9H12ClN3 and molecular weight 197.07 g/mol. IUPAC: 3-(4,5-dihydro-1H-imidazol-2-yl)aniline;hydrochloride.
Chemical Property Profile of 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline monohydrochloride
Property Insights of 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline monohydrochloride
The XLogP value of 1.0404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline monohydrochloride. With a topological polar surface area (TPSA) of 50.41 Ų, 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline monohydrochloride has 2 hydrogen bond donor(s) and 3 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 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline monohydrochloride?
The CAS number of 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline monohydrochloride is 94213-44-2.
What is the molecular formula of 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline monohydrochloride?
The molecular formula of 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline monohydrochloride is C9H12ClN3.
What is the molecular weight of 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline monohydrochloride?
The molecular weight of 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline monohydrochloride is 197.07 g/mol.
Where can I buy 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline monohydrochloride?
You can request a quote for 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.