Benzenamine, 2-(1,1-dimethylethyl)-N-2-propenyl-
TL;DR: Benzenamine, 2-(1,1-dimethylethyl)-N-2-propenyl- (CAS 193338-72-6) is a chemical compound with molecular formula C13H19N and molecular weight 189.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-N-prop-2-enylaniline
Also Known As: N-Allyl-2-tert-butylaniline, Aniline, N-allyl-O-tert-butyl-, 2-tert-butyl-N-(prop-2-en-1-yl)aniline, 2-tert-butyl-N-prop-2-enylaniline, Allyl-(2-tert-butyl-phenyl)-amine
| Molecular Formula | C13H19N |
|---|---|
| Molecular Weight | 189.15 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 189.15175 |
| Heavy Atoms | 14 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 193338-72-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=CC=C1NCC=C |
| InChIKey | JTNWLMYDECZVFY-UHFFFAOYSA-N |
Product Overview
Benzenamine, 2-(1,1-dimethylethyl)-N-2-propenyl- (CAS 193338-72-6), with molecular formula C13H19N and molecular weight 189.15 g/mol. IUPAC: 2-tert-butyl-N-prop-2-enylaniline.
Chemical Property Profile of Benzenamine, 2-(1,1-dimethylethyl)-N-2-propenyl-
Property Insights of Benzenamine, 2-(1,1-dimethylethyl)-N-2-propenyl-
The XLogP value of 4.2 indicates that Benzenamine, 2-(1,1-dimethylethyl)-N-2-propenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, Benzenamine, 2-(1,1-dimethylethyl)-N-2-propenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, 2-(1,1-dimethylethyl)-N-2-propenyl- 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 Benzenamine, 2-(1,1-dimethylethyl)-N-2-propenyl-?
The CAS number of Benzenamine, 2-(1,1-dimethylethyl)-N-2-propenyl- is 193338-72-6.
What is the molecular formula of Benzenamine, 2-(1,1-dimethylethyl)-N-2-propenyl-?
The molecular formula of Benzenamine, 2-(1,1-dimethylethyl)-N-2-propenyl- is C13H19N.
What is the molecular weight of Benzenamine, 2-(1,1-dimethylethyl)-N-2-propenyl-?
The molecular weight of Benzenamine, 2-(1,1-dimethylethyl)-N-2-propenyl- is 189.15 g/mol.
Where can I buy Benzenamine, 2-(1,1-dimethylethyl)-N-2-propenyl-?
You can request a quote for Benzenamine, 2-(1,1-dimethylethyl)-N-2-propenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 2-(1,1-dimethylethyl)-N-2-propenyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 2-(1,1-dimethylethyl)-N-2-propenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.