N-苄基丁-3-炔-2-胺
TL;DR: N-苄基丁-3-炔-2-胺 (CAS 63991-03-7) is a chemical compound with molecular formula C11H13N and molecular weight 159.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-苄基丁-3-炔-2-胺
N-benzylbut-3-yn-2-amine
Also Known As: N-benzylbut-3-yn-2-amine, N-3-(1-Butynyl)-benzylamine, benzyl(1-methyl-prop-2-ynyl)amine, benzyl(but-3-yn-2-yl)amine, N-(1-methyl-2-propynyl)benzylamine
| Molecular Formula | C11H13N |
|---|---|
| Molecular Weight | 159.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 159.1048 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 63991-03-7 |
|---|---|
| SMILES | CC(C#C)NCC1=CC=CC=C1 |
| InChIKey | DRBAJMGSRKIURK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-苄基丁-3-炔-2-胺 (CAS 63991-03-7), with molecular formula C11H13N and molecular weight 159.10 g/mol. IUPAC: N-benzylbut-3-yn-2-amine.
Chemical Property Profile of N-苄基丁-3-炔-2-胺
Property Insights of N-苄基丁-3-炔-2-胺
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-苄基丁-3-炔-2-胺. With a topological polar surface area (TPSA) of 12.0 Ų, N-苄基丁-3-炔-2-胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-苄基丁-3-炔-2-胺 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 N-苄基丁-3-炔-2-胺?
The CAS number of N-苄基丁-3-炔-2-胺 is 63991-03-7.
What is the molecular formula of N-苄基丁-3-炔-2-胺?
The molecular formula of N-苄基丁-3-炔-2-胺 is C11H13N.
What is the molecular weight of N-苄基丁-3-炔-2-胺?
The molecular weight of N-苄基丁-3-炔-2-胺 is 159.10 g/mol.
Where can I buy N-苄基丁-3-炔-2-胺?
You can request a quote for N-苄基丁-3-炔-2-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-苄基丁-3-炔-2-胺?
Yes, KEHONG BIO provides custom synthesis services for N-苄基丁-3-炔-2-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.