N-tert-Butyl-2-methylbut-3-en-2-amine--hydrogen chloride (1/1)
TL;DR: N-tert-Butyl-2-methylbut-3-en-2-amine--hydrogen chloride (1/1) (CAS 1189-79-3) is a chemical compound with molecular formula C9H20ClN and molecular weight 177.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl(2-methylbut-3-en-2-yl)azanium chloride
Also Known As: 3-tert-Butylamino-3-methyl-1-butene hydrochloride, tert-butyl(2-methylbut-3-en-2-yl)azanium, tert-butyl(2-methylbut-3-en-2-yl)azanium chloride, tert-Butylamine, N-(3-methyl-1-buten-3-yl)-, hydrochloride, 3-BUTEN-2-AMINE, 2-METHYL-N-(tert-BUTYL)-, HYDROCHLORIDE
| Molecular Formula | C9H20ClN |
|---|---|
| Molecular Weight | 177.13 g/mol |
| LogP | -1.68 |
| Topological Polar Surface Area | 16.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.12843 |
| Heavy Atoms | 11 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 1189-79-3 |
|---|---|
| SMILES | CC(C)(C)[NH2+]C(C)(C)C=C.[Cl-] |
| InChIKey | OCTBLEATZRDLOJ-UHFFFAOYSA-N |
Product Overview
N-tert-Butyl-2-methylbut-3-en-2-amine--hydrogen chloride (1/1) (CAS 1189-79-3), with molecular formula C9H20ClN and molecular weight 177.13 g/mol. IUPAC: tert-butyl(2-methylbut-3-en-2-yl)azanium chloride.
Chemical Property Profile of N-tert-Butyl-2-methylbut-3-en-2-amine--hydrogen chloride (1/1)
Property Insights of N-tert-Butyl-2-methylbut-3-en-2-amine--hydrogen chloride (1/1)
The XLogP value of -1.68 indicates that N-tert-Butyl-2-methylbut-3-en-2-amine--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 16.6 Ų, N-tert-Butyl-2-methylbut-3-en-2-amine--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-Butyl-2-methylbut-3-en-2-amine--hydrogen chloride (1/1) 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-tert-Butyl-2-methylbut-3-en-2-amine--hydrogen chloride (1/1)?
The CAS number of N-tert-Butyl-2-methylbut-3-en-2-amine--hydrogen chloride (1/1) is 1189-79-3.
What is the molecular formula of N-tert-Butyl-2-methylbut-3-en-2-amine--hydrogen chloride (1/1)?
The molecular formula of N-tert-Butyl-2-methylbut-3-en-2-amine--hydrogen chloride (1/1) is C9H20ClN.
What is the molecular weight of N-tert-Butyl-2-methylbut-3-en-2-amine--hydrogen chloride (1/1)?
The molecular weight of N-tert-Butyl-2-methylbut-3-en-2-amine--hydrogen chloride (1/1) is 177.13 g/mol.
Where can I buy N-tert-Butyl-2-methylbut-3-en-2-amine--hydrogen chloride (1/1)?
You can request a quote for N-tert-Butyl-2-methylbut-3-en-2-amine--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-Butyl-2-methylbut-3-en-2-amine--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for N-tert-Butyl-2-methylbut-3-en-2-amine--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.