(丁-2-基)(丙-2-炔-1-基)胺
TL;DR: (丁-2-基)(丙-2-炔-1-基)胺 (CAS 78524-93-3) is a chemical compound with molecular formula C7H13N and molecular weight 111.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(丁-2-基)(丙-2-炔-1-基)胺
N-prop-2-ynylbutan-2-amine
Also Known As: (butan-2-yl)(prop-2-yn-1-yl)amine, N-prop-2-ynylbutan-2-amine, (1-Methylpropyl)propargylamine
| Molecular Formula | C7H13N |
|---|---|
| Molecular Weight | 111.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 111.1048 |
| Heavy Atoms | 8 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 78524-93-3 |
|---|---|
| SMILES | CCC(C)NCC#C |
| InChIKey | MMUSQLTVJWLCEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(丁-2-基)(丙-2-炔-1-基)胺 (CAS 78524-93-3), with molecular formula C7H13N and molecular weight 111.10 g/mol. IUPAC: N-prop-2-ynylbutan-2-amine.
Chemical Property Profile of (丁-2-基)(丙-2-炔-1-基)胺
Property Insights of (丁-2-基)(丙-2-炔-1-基)胺
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (丁-2-基)(丙-2-炔-1-基)胺. With a topological polar surface area (TPSA) of 12.0 Ų, (丁-2-基)(丙-2-炔-1-基)胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (丁-2-基)(丙-2-炔-1-基)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 (丁-2-基)(丙-2-炔-1-基)胺?
The CAS number of (丁-2-基)(丙-2-炔-1-基)胺 is 78524-93-3.
What is the molecular formula of (丁-2-基)(丙-2-炔-1-基)胺?
The molecular formula of (丁-2-基)(丙-2-炔-1-基)胺 is C7H13N.
What is the molecular weight of (丁-2-基)(丙-2-炔-1-基)胺?
The molecular weight of (丁-2-基)(丙-2-炔-1-基)胺 is 111.10 g/mol.
Where can I buy (丁-2-基)(丙-2-炔-1-基)胺?
You can request a quote for (丁-2-基)(丙-2-炔-1-基)胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (丁-2-基)(丙-2-炔-1-基)胺?
Yes, KEHONG BIO provides custom synthesis services for (丁-2-基)(丙-2-炔-1-基)胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.