N-丁基-α-甲基苄胺
TL;DR: N-丁基-α-甲基苄胺 (CAS 5412-64-6) is a chemical compound with molecular formula C12H19N and molecular weight 177.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-丁基-α-甲基苄胺
N-(1-phenylethyl)butan-1-amine
Also Known As: N-Butyl-alpha-methylbenzylamine, butyl(1-phenylethyl)amine, N-Butyl-1-phenylethylamine, N-butyl-a-methylbenzylamine, N-(1-phenylethyl)butan-1-amine
| Molecular Formula | C12H19N |
|---|---|
| Molecular Weight | 177.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 177.15175 |
| Heavy Atoms | 13 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 5412-64-6 |
|---|---|
| SMILES | CCCCNC(C)C1=CC=CC=C1 |
| InChIKey | SHHMVRIBSOJMCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-丁基-α-甲基苄胺 (CAS 5412-64-6), with molecular formula C12H19N and molecular weight 177.15 g/mol. IUPAC: N-(1-phenylethyl)butan-1-amine.
Chemical Property Profile of N-丁基-α-甲基苄胺
Property Insights of N-丁基-α-甲基苄胺
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-丁基-α-甲基苄胺. With a topological polar surface area (TPSA) of 12.0 Ų, N-丁基-α-甲基苄胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-丁基-α-甲基苄胺 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-丁基-α-甲基苄胺?
The CAS number of N-丁基-α-甲基苄胺 is 5412-64-6.
What is the molecular formula of N-丁基-α-甲基苄胺?
The molecular formula of N-丁基-α-甲基苄胺 is C12H19N.
What is the molecular weight of N-丁基-α-甲基苄胺?
The molecular weight of N-丁基-α-甲基苄胺 is 177.15 g/mol.
Where can I buy N-丁基-α-甲基苄胺?
You can request a quote for N-丁基-α-甲基苄胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-丁基-α-甲基苄胺?
Yes, KEHONG BIO provides custom synthesis services for N-丁基-α-甲基苄胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.