N-(3-aminopropyl)aniline
TL;DR: N-(3-aminopropyl)aniline (CAS 4742-01-2) 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.
N'-phenylpropane-1,3-diamine
Also Known As: N-(3-aminopropyl)aniline, N-AMINOPROPYL ANILINE, N1-phenylpropane-1,3-diamine, 6,7-Dimethylisatin, N'-phenylpropane-1,3-diamine
| Molecular Formula | C9H14N2 |
|---|---|
| Molecular Weight | 150.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 150.11569 |
| Heavy Atoms | 11 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 4742-01-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCCCN |
| InChIKey | DOSWHECVUKBMCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3-aminopropyl)aniline (CAS 4742-01-2), with molecular formula C9H14N2 and molecular weight 150.12 g/mol. IUPAC: N'-phenylpropane-1,3-diamine.
Chemical Property Profile of N-(3-aminopropyl)aniline
Property Insights of N-(3-aminopropyl)aniline
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-aminopropyl)aniline. With a topological polar surface area (TPSA) of 38.1 Ų, N-(3-aminopropyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-aminopropyl)aniline 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 N-(3-aminopropyl)aniline?
The CAS number of N-(3-aminopropyl)aniline is 4742-01-2.
What is the molecular formula of N-(3-aminopropyl)aniline?
The molecular formula of N-(3-aminopropyl)aniline is C9H14N2.
What is the molecular weight of N-(3-aminopropyl)aniline?
The molecular weight of N-(3-aminopropyl)aniline is 150.12 g/mol.
Where can I buy N-(3-aminopropyl)aniline?
You can request a quote for N-(3-aminopropyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-aminopropyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(3-aminopropyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.