(2E)-3,3-Dimethyl-N-phenylbutan-2-imine
TL;DR: (2E)-3,3-Dimethyl-N-phenylbutan-2-imine (CAS 1132-34-9) is a chemical compound with molecular formula C12H17N and molecular weight 175.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-N-phenylbutan-2-imine
Also Known As: Pinakolonanil, 3,3-dimethyl-N-phenylbutan-2-imine, N-(1,2,2-Trimethylpropylidene)aniline, 3,3-dimethyl-N-phenyl-butan-2-imine, n-(1,2,2-trimethyl-propylidene)aniline
| Molecular Formula | C12H17N |
|---|---|
| Molecular Weight | 175.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.1361 |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 1132-34-9 |
|---|---|
| SMILES | CC(=NC1=CC=CC=C1)C(C)(C)C |
| InChIKey | JMAYGWLEUGWVPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2E)-3,3-Dimethyl-N-phenylbutan-2-imine (CAS 1132-34-9), with molecular formula C12H17N and molecular weight 175.14 g/mol. IUPAC: 3,3-dimethyl-N-phenylbutan-2-imine.
Chemical Property Profile of (2E)-3,3-Dimethyl-N-phenylbutan-2-imine
Property Insights of (2E)-3,3-Dimethyl-N-phenylbutan-2-imine
The XLogP value of 3.2 indicates that (2E)-3,3-Dimethyl-N-phenylbutan-2-imine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.4 Ų, (2E)-3,3-Dimethyl-N-phenylbutan-2-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3,3-Dimethyl-N-phenylbutan-2-imine has 0 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 (2E)-3,3-Dimethyl-N-phenylbutan-2-imine?
The CAS number of (2E)-3,3-Dimethyl-N-phenylbutan-2-imine is 1132-34-9.
What is the molecular formula of (2E)-3,3-Dimethyl-N-phenylbutan-2-imine?
The molecular formula of (2E)-3,3-Dimethyl-N-phenylbutan-2-imine is C12H17N.
What is the molecular weight of (2E)-3,3-Dimethyl-N-phenylbutan-2-imine?
The molecular weight of (2E)-3,3-Dimethyl-N-phenylbutan-2-imine is 175.14 g/mol.
Where can I buy (2E)-3,3-Dimethyl-N-phenylbutan-2-imine?
You can request a quote for (2E)-3,3-Dimethyl-N-phenylbutan-2-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3,3-Dimethyl-N-phenylbutan-2-imine?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3,3-Dimethyl-N-phenylbutan-2-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.