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N-[(E)-pyrrol-2-ylidenemethyl]butan-1-amine
TL;DR: N-[(E)-pyrrol-2-ylidenemethyl]butan-1-amine (CAS 77934-44-2) is a chemical compound with molecular formula C9H14N2 and molecular weight 150.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-1-(1H-pyrrol-2-yl)methanimine
Also Known As: N-[(E)-pyrrol-2-ylidenemethyl]butan-1-amine, N-Butyl-1H-pyrrole-2-methanimine, butyl[(1H-pyrrol-2-yl)methylidene]amine, N-(pyrrol-2-ylidenemethyl)butan-1-amine, J2.110.243A
| Molecular Formula | C9H14N2 |
|---|---|
| Molecular Weight | 150.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 150.11569 |
| Heavy Atoms | 11 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 77934-44-2 |
|---|---|
| SMILES | CCCCN=CC1=CC=CN1 |
| InChIKey | KGUFMFOWCRQLME-UHFFFAOYSA-N |
Product Overview
N-[(E)-pyrrol-2-ylidenemethyl]butan-1-amine (CAS 77934-44-2), with molecular formula C9H14N2 and molecular weight 150.12 g/mol. IUPAC: N-butyl-1-(1H-pyrrol-2-yl)methanimine.
Chemical Property Profile of N-[(E)-pyrrol-2-ylidenemethyl]butan-1-amine
Property Insights of N-[(E)-pyrrol-2-ylidenemethyl]butan-1-amine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(E)-pyrrol-2-ylidenemethyl]butan-1-amine. With a topological polar surface area (TPSA) of 28.2 Ų, N-[(E)-pyrrol-2-ylidenemethyl]butan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(E)-pyrrol-2-ylidenemethyl]butan-1-amine 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-[(E)-pyrrol-2-ylidenemethyl]butan-1-amine?
The CAS number of N-[(E)-pyrrol-2-ylidenemethyl]butan-1-amine is 77934-44-2.
What is the molecular formula of N-[(E)-pyrrol-2-ylidenemethyl]butan-1-amine?
The molecular formula of N-[(E)-pyrrol-2-ylidenemethyl]butan-1-amine is C9H14N2.
What is the molecular weight of N-[(E)-pyrrol-2-ylidenemethyl]butan-1-amine?
The molecular weight of N-[(E)-pyrrol-2-ylidenemethyl]butan-1-amine is 150.12 g/mol.
Where can I buy N-[(E)-pyrrol-2-ylidenemethyl]butan-1-amine?
You can request a quote for N-[(E)-pyrrol-2-ylidenemethyl]butan-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(E)-pyrrol-2-ylidenemethyl]butan-1-amine?
Yes, KEHONG BIO provides custom synthesis services for N-[(E)-pyrrol-2-ylidenemethyl]butan-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.