3-甲基-1-苯乙基丁胺
TL;DR: 3-甲基-1-苯乙基丁胺 (CAS 6396-93-6) is a chemical compound with molecular formula C13H21N and molecular weight 191.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基-1-苯乙基丁胺
5-methyl-1-phenylhexan-3-amine
Also Known As: 3-Methyl-1-phenethylbutylamine, 5-methyl-1-phenylhexan-3-amine, 2,5-Diamino-p-xylene, 3-Methyl-1-Phenethyl-Butylamine, 3-Methyl-1-phenaethyl-butylamin
| Molecular Formula | C13H21N |
|---|---|
| Molecular Weight | 191.17 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 191.1674 |
| Heavy Atoms | 14 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 6396-93-6 |
|---|---|
| SMILES | CC(C)CC(CCC1=CC=CC=C1)N |
| InChIKey | CRTSWORLYAUHOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基-1-苯乙基丁胺 (CAS 6396-93-6), with molecular formula C13H21N and molecular weight 191.17 g/mol. IUPAC: 5-methyl-1-phenylhexan-3-amine.
Chemical Property Profile of 3-甲基-1-苯乙基丁胺
Property Insights of 3-甲基-1-苯乙基丁胺
The XLogP value of 3.4 indicates that 3-甲基-1-苯乙基丁胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 3-甲基-1-苯乙基丁胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基-1-苯乙基丁胺 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 3-甲基-1-苯乙基丁胺?
The CAS number of 3-甲基-1-苯乙基丁胺 is 6396-93-6.
What is the molecular formula of 3-甲基-1-苯乙基丁胺?
The molecular formula of 3-甲基-1-苯乙基丁胺 is C13H21N.
What is the molecular weight of 3-甲基-1-苯乙基丁胺?
The molecular weight of 3-甲基-1-苯乙基丁胺 is 191.17 g/mol.
Where can I buy 3-甲基-1-苯乙基丁胺?
You can request a quote for 3-甲基-1-苯乙基丁胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基-1-苯乙基丁胺?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基-1-苯乙基丁胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.