Aniline, N-(3-methyl-1-pentyn-3-yl)-
TL;DR: Aniline, N-(3-methyl-1-pentyn-3-yl)- (CAS 14465-46-4) is a chemical compound with molecular formula C12H15N and molecular weight 173.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylpent-1-yn-3-yl)aniline
Also Known As: 3-Anilino-3-methyl-1-pentyne, N-(3-methylpent-1-yn-3-yl)aniline, ANILINE, N-(3-METHYL-1-PENTYN-3-YL)-, 4-12-00-00270 (Beilstein Handbook Reference), Benzenamine, N-(1-ethyl-1-methyl-2-propyn-1-yl)-
| Molecular Formula | C12H15N |
|---|---|
| Molecular Weight | 173.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 173.12045 |
| Heavy Atoms | 13 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 14465-46-4 |
|---|---|
| SMILES | CCC(C)(C#C)NC1=CC=CC=C1 |
| InChIKey | CRZWDGUMTCNDOV-UHFFFAOYSA-N |
Product Overview
Aniline, N-(3-methyl-1-pentyn-3-yl)- (CAS 14465-46-4), with molecular formula C12H15N and molecular weight 173.12 g/mol. IUPAC: N-(3-methylpent-1-yn-3-yl)aniline.
Chemical Property Profile of Aniline, N-(3-methyl-1-pentyn-3-yl)-
Property Insights of Aniline, N-(3-methyl-1-pentyn-3-yl)-
The XLogP value of 3.1 indicates that Aniline, N-(3-methyl-1-pentyn-3-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, Aniline, N-(3-methyl-1-pentyn-3-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aniline, N-(3-methyl-1-pentyn-3-yl)- 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 Aniline, N-(3-methyl-1-pentyn-3-yl)-?
The CAS number of Aniline, N-(3-methyl-1-pentyn-3-yl)- is 14465-46-4.
What is the molecular formula of Aniline, N-(3-methyl-1-pentyn-3-yl)-?
The molecular formula of Aniline, N-(3-methyl-1-pentyn-3-yl)- is C12H15N.
What is the molecular weight of Aniline, N-(3-methyl-1-pentyn-3-yl)-?
The molecular weight of Aniline, N-(3-methyl-1-pentyn-3-yl)- is 173.12 g/mol.
Where can I buy Aniline, N-(3-methyl-1-pentyn-3-yl)-?
You can request a quote for Aniline, N-(3-methyl-1-pentyn-3-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aniline, N-(3-methyl-1-pentyn-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Aniline, N-(3-methyl-1-pentyn-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.