N,N-二甲基-3-苯基丙-2-烯-1-胺
TL;DR: N,N-二甲基-3-苯基丙-2-烯-1-胺 (CAS 42817-44-7) is a chemical compound with molecular formula C11H15N and molecular weight 161.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-二甲基-3-苯基丙-2-烯-1-胺
N,N-dimethyl-3-phenylprop-2-en-1-amine
Also Known As: S-Benzoyl captopril, N,N-dimethyl-3-phenylprop-2-en-1-amine, 2-Propen-1-amine, N,N-dimethyl-3-phenyl-, 2-Propen-1-amine, N,N-dimethyl-3-phenyl-, (E)-
| Molecular Formula | C11H15N |
|---|---|
| Molecular Weight | 161.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 161.12045 |
| Heavy Atoms | 12 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 42817-44-7 |
|---|---|
| SMILES | CN(C)CC=CC1=CC=CC=C1 |
| InChIKey | SYUYXOYNRMMOGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-二甲基-3-苯基丙-2-烯-1-胺 (CAS 42817-44-7), with molecular formula C11H15N and molecular weight 161.12 g/mol. IUPAC: N,N-dimethyl-3-phenylprop-2-en-1-amine.
Chemical Property Profile of N,N-二甲基-3-苯基丙-2-烯-1-胺
Property Insights of N,N-二甲基-3-苯基丙-2-烯-1-胺
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-二甲基-3-苯基丙-2-烯-1-胺. With a topological polar surface area (TPSA) of 3.2 Ų, N,N-二甲基-3-苯基丙-2-烯-1-胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-二甲基-3-苯基丙-2-烯-1-胺 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 N,N-二甲基-3-苯基丙-2-烯-1-胺?
The CAS number of N,N-二甲基-3-苯基丙-2-烯-1-胺 is 42817-44-7.
What is the molecular formula of N,N-二甲基-3-苯基丙-2-烯-1-胺?
The molecular formula of N,N-二甲基-3-苯基丙-2-烯-1-胺 is C11H15N.
What is the molecular weight of N,N-二甲基-3-苯基丙-2-烯-1-胺?
The molecular weight of N,N-二甲基-3-苯基丙-2-烯-1-胺 is 161.12 g/mol.
Where can I buy N,N-二甲基-3-苯基丙-2-烯-1-胺?
You can request a quote for N,N-二甲基-3-苯基丙-2-烯-1-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-二甲基-3-苯基丙-2-烯-1-胺?
Yes, KEHONG BIO provides custom synthesis services for N,N-二甲基-3-苯基丙-2-烯-1-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.