3-Butyn-2-amine, N-(tert-butyl)-2-methyl-, hydrochloride
TL;DR: 3-Butyn-2-amine, N-(tert-butyl)-2-methyl-, hydrochloride (CAS 1189-80-6) is a chemical compound with molecular formula C9H18ClN and molecular weight 175.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-2-methylbut-3-yn-2-amine;hydrochloride
Also Known As: 3-tert-Butylamino-3-methyl-1-butyne hydrochloride, N-tert-butyl-2-methylbut-3-yn-2-amine hydrochloride, 3-Butyn-2-amine, N-(tert-butyl)-2-methyl-, hydrochloride, n-tert-butyl-2-methylbut-3-yn-2-amine hydrochloride(1:1), tert-Butylamine, N-(2-methylbut-3-yn-2-yl)-, hydrochloride
| Molecular Formula | C9H18ClN |
|---|---|
| Molecular Weight | 175.11 g/mol |
| LogP | 2.21 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.11278 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 1189-80-6 |
|---|---|
| SMILES | CC(C)(C)NC(C)(C)C#C.Cl |
| InChIKey | IVMFGZOVVOHYPE-UHFFFAOYSA-N |
Product Overview
3-Butyn-2-amine, N-(tert-butyl)-2-methyl-, hydrochloride (CAS 1189-80-6), with molecular formula C9H18ClN and molecular weight 175.11 g/mol. IUPAC: N-tert-butyl-2-methylbut-3-yn-2-amine;hydrochloride.
Chemical Property Profile of 3-Butyn-2-amine, N-(tert-butyl)-2-methyl-, hydrochloride
Property Insights of 3-Butyn-2-amine, N-(tert-butyl)-2-methyl-, hydrochloride
The XLogP value of 2.21 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyn-2-amine, N-(tert-butyl)-2-methyl-, hydrochloride. With a topological polar surface area (TPSA) of 12.0 Ų, 3-Butyn-2-amine, N-(tert-butyl)-2-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyn-2-amine, N-(tert-butyl)-2-methyl-, hydrochloride has 2 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 3-Butyn-2-amine, N-(tert-butyl)-2-methyl-, hydrochloride?
The CAS number of 3-Butyn-2-amine, N-(tert-butyl)-2-methyl-, hydrochloride is 1189-80-6.
What is the molecular formula of 3-Butyn-2-amine, N-(tert-butyl)-2-methyl-, hydrochloride?
The molecular formula of 3-Butyn-2-amine, N-(tert-butyl)-2-methyl-, hydrochloride is C9H18ClN.
What is the molecular weight of 3-Butyn-2-amine, N-(tert-butyl)-2-methyl-, hydrochloride?
The molecular weight of 3-Butyn-2-amine, N-(tert-butyl)-2-methyl-, hydrochloride is 175.11 g/mol.
Where can I buy 3-Butyn-2-amine, N-(tert-butyl)-2-methyl-, hydrochloride?
You can request a quote for 3-Butyn-2-amine, N-(tert-butyl)-2-methyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyn-2-amine, N-(tert-butyl)-2-methyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyn-2-amine, N-(tert-butyl)-2-methyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.