N1-(1-Methylethyl)-1,4-benzenediamine
TL;DR: N1-(1-Methylethyl)-1,4-benzenediamine (CAS 16153-75-6) is a chemical compound with molecular formula C9H14N2 and molecular weight 150.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-propan-2-ylbenzene-1,4-diamine
Also Known As: N-Isopropyl-p-phenylenediamine, N-(1-Methylethyl)benzene-1,4-diamine, 1,4-Benzenediamine, N-(1-methylethyl)-, n-isopropylbenzene-1,4-diamine, isopropyl-paraphenylenediamine
| Molecular Formula | C9H14N2 |
|---|---|
| Molecular Weight | 150.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.11569 |
| Heavy Atoms | 11 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 16153-75-6 |
|---|---|
| SMILES | CC(C)NC1=CC=C(C=C1)N |
| InChIKey | YFZNTUOMAQXCQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N1-(1-Methylethyl)-1,4-benzenediamine (CAS 16153-75-6), with molecular formula C9H14N2 and molecular weight 150.12 g/mol. IUPAC: 4-N-propan-2-ylbenzene-1,4-diamine.
Chemical Property Profile of N1-(1-Methylethyl)-1,4-benzenediamine
Property Insights of N1-(1-Methylethyl)-1,4-benzenediamine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1-(1-Methylethyl)-1,4-benzenediamine. With a topological polar surface area (TPSA) of 38.1 Ų, N1-(1-Methylethyl)-1,4-benzenediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N1-(1-Methylethyl)-1,4-benzenediamine 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 N1-(1-Methylethyl)-1,4-benzenediamine?
The CAS number of N1-(1-Methylethyl)-1,4-benzenediamine is 16153-75-6.
What is the molecular formula of N1-(1-Methylethyl)-1,4-benzenediamine?
The molecular formula of N1-(1-Methylethyl)-1,4-benzenediamine is C9H14N2.
What is the molecular weight of N1-(1-Methylethyl)-1,4-benzenediamine?
The molecular weight of N1-(1-Methylethyl)-1,4-benzenediamine is 150.12 g/mol.
Where can I buy N1-(1-Methylethyl)-1,4-benzenediamine?
You can request a quote for N1-(1-Methylethyl)-1,4-benzenediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-(1-Methylethyl)-1,4-benzenediamine?
Yes, KEHONG BIO provides custom synthesis services for N1-(1-Methylethyl)-1,4-benzenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.