Methyl 4-(aminomethyl)benzoate hydrochloride
TL;DR: Methyl 4-(aminomethyl)benzoate hydrochloride (CAS 18469-52-8) is a chemical compound with molecular formula C9H12ClNO2 and molecular weight 201.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(aminomethyl)benzoate;hydrochloride
Also Known As: Methyl 4-(aminomethyl)benzoate hydrochloride, Methyl 4-aminomethylbenzoate HCl, methyl 4-aminomethyl-benzoate hydrochloride, methyl 4-(aminomethyl)benzoate;hydrochloride, 4-(Aminomethyl)benzoate hydrochloride
| Molecular Formula | C9H12ClNO2 |
|---|---|
| Molecular Weight | 201.06 g/mol |
| LogP | 1.3537 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.05565 |
| Heavy Atoms | 13 |
| Complexity | 271.44812 |
Chemical Identifiers
| CAS Number | 18469-52-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CN.Cl |
Product Overview
Methyl 4-(aminomethyl)benzoate hydrochloride (CAS 18469-52-8), with molecular formula C9H12ClNO2 and molecular weight 201.06 g/mol. IUPAC: methyl 4-(aminomethyl)benzoate;hydrochloride.
Chemical Property Profile of Methyl 4-(aminomethyl)benzoate hydrochloride
Property Insights of Methyl 4-(aminomethyl)benzoate hydrochloride
The XLogP value of 1.3537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(aminomethyl)benzoate hydrochloride. With a topological polar surface area (TPSA) of 52.32 Ų, Methyl 4-(aminomethyl)benzoate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(aminomethyl)benzoate hydrochloride has 1 hydrogen bond donor(s) and 3 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 Methyl 4-(aminomethyl)benzoate hydrochloride?
The CAS number of Methyl 4-(aminomethyl)benzoate hydrochloride is 18469-52-8.
What is the molecular formula of Methyl 4-(aminomethyl)benzoate hydrochloride?
The molecular formula of Methyl 4-(aminomethyl)benzoate hydrochloride is C9H12ClNO2.
What is the molecular weight of Methyl 4-(aminomethyl)benzoate hydrochloride?
The molecular weight of Methyl 4-(aminomethyl)benzoate hydrochloride is 201.06 g/mol.
Where can I buy Methyl 4-(aminomethyl)benzoate hydrochloride?
You can request a quote for Methyl 4-(aminomethyl)benzoate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(aminomethyl)benzoate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(aminomethyl)benzoate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.