4-Chloro-N~1~-(propan-2-yl)benzene-1,2-diamine
TL;DR: 4-Chloro-N~1~-(propan-2-yl)benzene-1,2-diamine (CAS 89659-68-7) is a chemical compound with molecular formula C9H13ClN2 and molecular weight 184.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-N-propan-2-ylbenzene-1,2-diamine
Also Known As: 5-Chloro-2-(isopropylamino)aniline, 5-CHLORO-2- ANILINE, 4-Chloro-N1-isopropylbenzene-1,2-diamine, 4-chloro-1-N-propan-2-ylbenzene-1,2-diamine, 1,2-Benzenediamine,4-chloro-N1-(1-methylethyl)-
| Molecular Formula | C9H13ClN2 |
|---|---|
| Molecular Weight | 184.08 g/mol |
| LogP | 2.7425 |
| Topological Polar Surface Area | 38.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.07672 |
| Heavy Atoms | 12 |
| Complexity | 271.23108 |
Chemical Identifiers
| CAS Number | 89659-68-7 |
|---|---|
| SMILES | CC(C)NC1=C(C=C(C=C1)Cl)N |
Product Overview
4-Chloro-N~1~-(propan-2-yl)benzene-1,2-diamine (CAS 89659-68-7), with molecular formula C9H13ClN2 and molecular weight 184.08 g/mol. IUPAC: 4-chloro-1-N-propan-2-ylbenzene-1,2-diamine.
Chemical Property Profile of 4-Chloro-N~1~-(propan-2-yl)benzene-1,2-diamine
Property Insights of 4-Chloro-N~1~-(propan-2-yl)benzene-1,2-diamine
The XLogP value of 2.7425 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-N~1~-(propan-2-yl)benzene-1,2-diamine. With a topological polar surface area (TPSA) of 38.05 Ų, 4-Chloro-N~1~-(propan-2-yl)benzene-1,2-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-N~1~-(propan-2-yl)benzene-1,2-diamine has 2 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-Chloro-N~1~-(propan-2-yl)benzene-1,2-diamine?
The CAS number of 4-Chloro-N~1~-(propan-2-yl)benzene-1,2-diamine is 89659-68-7.
What is the molecular formula of 4-Chloro-N~1~-(propan-2-yl)benzene-1,2-diamine?
The molecular formula of 4-Chloro-N~1~-(propan-2-yl)benzene-1,2-diamine is C9H13ClN2.
What is the molecular weight of 4-Chloro-N~1~-(propan-2-yl)benzene-1,2-diamine?
The molecular weight of 4-Chloro-N~1~-(propan-2-yl)benzene-1,2-diamine is 184.08 g/mol.
Where can I buy 4-Chloro-N~1~-(propan-2-yl)benzene-1,2-diamine?
You can request a quote for 4-Chloro-N~1~-(propan-2-yl)benzene-1,2-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-N~1~-(propan-2-yl)benzene-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-N~1~-(propan-2-yl)benzene-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.