N-甲基苯乙胺
TL;DR: N-甲基苯乙胺 (CAS 589-08-2) is a chemical compound with molecular formula C9H13N and molecular weight 135.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-甲基苯乙胺
N-methyl-2-phenylethanamine
Also Known As: N-Methylphenethylamine, N-Methyl-2-phenylethanamine, Benzeneethanamine, N-methyl-, N-Methyl-2-phenylethylamine, N-Methyl-phenethylamine
| Molecular Formula | C9H13N |
|---|---|
| Molecular Weight | 135.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 135.1048 |
| Heavy Atoms | 10 |
| Complexity | 74.0 |
| Solubility | <0.3 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 589-08-2 |
|---|---|
| SMILES | CNCCC1=CC=CC=C1 |
| InChIKey | SASNBVQSOZSTPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-甲基苯乙胺 (CAS 589-08-2), with molecular formula C9H13N and molecular weight 135.10 g/mol. IUPAC: N-methyl-2-phenylethanamine.
Chemical Property Profile of N-甲基苯乙胺
Property Insights of N-甲基苯乙胺
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-甲基苯乙胺. With a topological polar surface area (TPSA) of 12.0 Ų, N-甲基苯乙胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-甲基苯乙胺 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-甲基苯乙胺?
The CAS number of N-甲基苯乙胺 is 589-08-2.
What is the molecular formula of N-甲基苯乙胺?
The molecular formula of N-甲基苯乙胺 is C9H13N.
What is the molecular weight of N-甲基苯乙胺?
The molecular weight of N-甲基苯乙胺 is 135.10 g/mol.
Where can I buy N-甲基苯乙胺?
You can request a quote for N-甲基苯乙胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-甲基苯乙胺?
Yes, KEHONG BIO provides custom synthesis services for N-甲基苯乙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.