Benzenemethanamine, N-butyl-3-chloro-5-nitro-
TL;DR: Benzenemethanamine, N-butyl-3-chloro-5-nitro- (CAS 90389-79-0) is a chemical compound with molecular formula C11H15ClN2O2 and molecular weight 242.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chloro-5-nitrophenyl)methyl]butan-1-amine
Also Known As: Benzylamine der, Benzenemethanamine, N-butyl-3-chloro-5-nitro-, N-[(3-chloro-5-nitrophenyl)methyl]butan-1-amine, N-[(3-chloro-5-nitro-phenyl)methyl]butan-1-amine, N-BUTYL-3-CHLORO-5-NITRO-BENZENEMETHANAMINE
| Molecular Formula | C11H15ClN2O2 |
|---|---|
| Molecular Weight | 242.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.0822 |
| Heavy Atoms | 16 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 90389-79-0 |
|---|---|
| SMILES | CCCCNCC1=CC(=CC(=C1)Cl)[N+](=O)[O-] |
| InChIKey | LQKPXLHAQOGOCI-UHFFFAOYSA-N |
Product Overview
Benzenemethanamine, N-butyl-3-chloro-5-nitro- (CAS 90389-79-0), with molecular formula C11H15ClN2O2 and molecular weight 242.08 g/mol. IUPAC: N-[(3-chloro-5-nitrophenyl)methyl]butan-1-amine.
Chemical Property Profile of Benzenemethanamine, N-butyl-3-chloro-5-nitro-
Property Insights of Benzenemethanamine, N-butyl-3-chloro-5-nitro-
The XLogP value of 3.0 indicates that Benzenemethanamine, N-butyl-3-chloro-5-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, Benzenemethanamine, N-butyl-3-chloro-5-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanamine, N-butyl-3-chloro-5-nitro- 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 Benzenemethanamine, N-butyl-3-chloro-5-nitro-?
The CAS number of Benzenemethanamine, N-butyl-3-chloro-5-nitro- is 90389-79-0.
What is the molecular formula of Benzenemethanamine, N-butyl-3-chloro-5-nitro-?
The molecular formula of Benzenemethanamine, N-butyl-3-chloro-5-nitro- is C11H15ClN2O2.
What is the molecular weight of Benzenemethanamine, N-butyl-3-chloro-5-nitro-?
The molecular weight of Benzenemethanamine, N-butyl-3-chloro-5-nitro- is 242.08 g/mol.
Where can I buy Benzenemethanamine, N-butyl-3-chloro-5-nitro-?
You can request a quote for Benzenemethanamine, N-butyl-3-chloro-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanamine, N-butyl-3-chloro-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, N-butyl-3-chloro-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.