2-(1-Pyrrolyl)benzylamine
TL;DR: 2-(1-Pyrrolyl)benzylamine (CAS 82183-60-6) is a chemical compound with molecular formula C11H12N2 and molecular weight 172.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-pyrrol-1-ylphenyl)methanamine
Also Known As: 2-(1-Pyrrolyl)benzylamine, (2-pyrrol-1-ylphenyl)methanamine, 2-Pyrrol-1-yl-benzylamine, (2-(1H-pyrrol-1-yl)phenyl)methanamine, ChemDiv2_002194
| Molecular Formula | C11H12N2 |
|---|---|
| Molecular Weight | 172.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 31.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.10005 |
| Heavy Atoms | 13 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 82183-60-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN)N2C=CC=C2 |
| InChIKey | BNDYBXDAGIQWOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1-Pyrrolyl)benzylamine (CAS 82183-60-6), with molecular formula C11H12N2 and molecular weight 172.10 g/mol. IUPAC: (2-pyrrol-1-ylphenyl)methanamine.
Chemical Property Profile of 2-(1-Pyrrolyl)benzylamine
Property Insights of 2-(1-Pyrrolyl)benzylamine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Pyrrolyl)benzylamine. With a topological polar surface area (TPSA) of 31.0 Ų, 2-(1-Pyrrolyl)benzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Pyrrolyl)benzylamine 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 2-(1-Pyrrolyl)benzylamine?
The CAS number of 2-(1-Pyrrolyl)benzylamine is 82183-60-6.
What is the molecular formula of 2-(1-Pyrrolyl)benzylamine?
The molecular formula of 2-(1-Pyrrolyl)benzylamine is C11H12N2.
What is the molecular weight of 2-(1-Pyrrolyl)benzylamine?
The molecular weight of 2-(1-Pyrrolyl)benzylamine is 172.10 g/mol.
Where can I buy 2-(1-Pyrrolyl)benzylamine?
You can request a quote for 2-(1-Pyrrolyl)benzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Pyrrolyl)benzylamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Pyrrolyl)benzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.