Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1)
TL;DR: Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1) (CAS 68133-98-2) is a chemical compound with molecular formula C10H15ClN2O2 and molecular weight 230.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-nitrophenyl)methyl]propan-1-amine;hydrochloride
Also Known As: PNBPA, N-4-Nitrobenzyl-n-propylamine hydrochloride, 4-Nitro-N-propylbenzylamine hydrochloride, 3-Hydroxytyramine hydrochloride, N-(4-Nitrobenzyl)propylamine hydrochloride
| Molecular Formula | C10H15ClN2O2 |
|---|---|
| Molecular Weight | 230.08 g/mol |
| LogP | 2.52 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.0822 |
| Heavy Atoms | 15 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 68133-98-2 |
|---|---|
| SMILES | CCCNCC1=CC=C(C=C1)[N+](=O)[O-].Cl |
| InChIKey | LWISLZIFEARHJI-UHFFFAOYSA-N |
Product Overview
Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1) (CAS 68133-98-2), with molecular formula C10H15ClN2O2 and molecular weight 230.08 g/mol. IUPAC: N-[(4-nitrophenyl)methyl]propan-1-amine;hydrochloride.
Chemical Property Profile of Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1)
Property Insights of Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1)
The XLogP value of 2.52 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1). With a topological polar surface area (TPSA) of 57.9 Ų, Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1) has 2 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, 4-nitro-N-propyl-, hydrochloride (1:1)?
The CAS number of Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1) is 68133-98-2.
What is the molecular formula of Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1)?
The molecular formula of Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1) is C10H15ClN2O2.
What is the molecular weight of Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1)?
The molecular weight of Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1) is 230.08 g/mol.
Where can I buy Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1)?
You can request a quote for Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.