N-Isopropylaniline
TL;DR: N-Isopropylaniline (CAS 768-52-5) is a chemical compound with molecular formula C9H13N and molecular weight 135.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-propan-2-ylaniline
Also Known As: N-ISOPROPYLANILINE, Isopropylaniline, N-isopropyl aniline, Aniline, N-isopropyl-, N-Phenylisopropylamine
| Molecular Formula | C9H13N |
|---|---|
| Molecular Weight | 135.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 135.1048 |
| Heavy Atoms | 10 |
| Complexity | 82.0 |
| Melting Point | -50.0 °C |
| Boiling Point | 397 to 203.9 °C at 760 mmHg |
| Density | 0.93 at 15.6 °C - Less dense than water; will float |
| Solubility | less than 0.1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | 87.8 °C |
| Vapor Pressure | 0.03 mmHg at 25.0 °C |
| Refractive Index | MAX ABSORPTION (DIL ALCOHOL-HCL): 248 NM (LOG E= 2.19); 254 NM (LOG E= 2.27); 260 NM (LOG E= 2.13); 1.5380 AT 20 °C; SADTLER REFERENCE NUMBER: 30297 (IR, PRISM); 6293 (IR, GRATING); 12762 (UV); 1335 (NMR) |
Chemical Identifiers
| CAS Number | 768-52-5 |
|---|---|
| SMILES | CC(C)NC1=CC=CC=C1 |
| InChIKey | FRCFWPVMFJMNDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Isopropylaniline (CAS 768-52-5), with molecular formula C9H13N and molecular weight 135.10 g/mol. IUPAC: N-propan-2-ylaniline.
Chemical Property Profile of N-Isopropylaniline
Property Insights of N-Isopropylaniline
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Isopropylaniline. With a topological polar surface area (TPSA) of 12.0 Ų, N-Isopropylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Isopropylaniline has 1 hydrogen bond donor(s) and 1 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-Isopropylaniline?
The CAS number of N-Isopropylaniline is 768-52-5.
What is the molecular formula of N-Isopropylaniline?
The molecular formula of N-Isopropylaniline is C9H13N.
What is the molecular weight of N-Isopropylaniline?
The molecular weight of N-Isopropylaniline is 135.10 g/mol.
Where can I buy N-Isopropylaniline?
You can request a quote for N-Isopropylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Isopropylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-Isopropylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.