3-Buten-1-amine, N-methyl-4-(3-pyridinyl)-
TL;DR: 3-Buten-1-amine, N-methyl-4-(3-pyridinyl)- (CAS 538-79-4) is a chemical compound with molecular formula C10H14N2 and molecular weight 162.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-4-pyridin-3-ylbut-3-en-1-amine
Also Known As: Metanicotine, Rivanicline, RJR-2403;(E)-Metanicotine, 3-Buten-1-amine, N-methyl-4-(3-pyridinyl)-, AI3-18211
| Molecular Formula | C10H14N2 |
|---|---|
| Molecular Weight | 162.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 24.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 162.11569 |
| Heavy Atoms | 12 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 538-79-4 |
|---|---|
| SMILES | CNCCC=CC1=CN=CC=C1 |
| InChIKey | JUOSGGQXEBBCJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Buten-1-amine, N-methyl-4-(3-pyridinyl)- (CAS 538-79-4), with molecular formula C10H14N2 and molecular weight 162.12 g/mol. IUPAC: N-methyl-4-pyridin-3-ylbut-3-en-1-amine.
Chemical Property Profile of 3-Buten-1-amine, N-methyl-4-(3-pyridinyl)-
Property Insights of 3-Buten-1-amine, N-methyl-4-(3-pyridinyl)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-1-amine, N-methyl-4-(3-pyridinyl)-. With a topological polar surface area (TPSA) of 24.9 Ų, 3-Buten-1-amine, N-methyl-4-(3-pyridinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-1-amine, N-methyl-4-(3-pyridinyl)- has 1 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 3-Buten-1-amine, N-methyl-4-(3-pyridinyl)-?
The CAS number of 3-Buten-1-amine, N-methyl-4-(3-pyridinyl)- is 538-79-4.
What is the molecular formula of 3-Buten-1-amine, N-methyl-4-(3-pyridinyl)-?
The molecular formula of 3-Buten-1-amine, N-methyl-4-(3-pyridinyl)- is C10H14N2.
What is the molecular weight of 3-Buten-1-amine, N-methyl-4-(3-pyridinyl)-?
The molecular weight of 3-Buten-1-amine, N-methyl-4-(3-pyridinyl)- is 162.12 g/mol.
Where can I buy 3-Buten-1-amine, N-methyl-4-(3-pyridinyl)-?
You can request a quote for 3-Buten-1-amine, N-methyl-4-(3-pyridinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-1-amine, N-methyl-4-(3-pyridinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-1-amine, N-methyl-4-(3-pyridinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.