![N-[(4-nitrophenyl)methyl]pentan-3-amine structure](/static/products/4187/418774-60-4.webp)
N-[(4-nitrophenyl)methyl]pentan-3-amine
TL;DR: N-[(4-nitrophenyl)methyl]pentan-3-amine (CAS 418774-60-4) is a chemical compound with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-nitrophenyl)methyl]pentan-3-amine
Also Known As: N-[(4-nitrophenyl)methyl]pentan-3-amine, N-(4-nitrobenzyl)pentan-3-amine, (1-ETHYLPROPYL)(4-NITROBENZYL)AMINE, CHEMBRDG-BB 5537505, CHEMBRDG-BB5537505
| Molecular Formula | C12H18N2O2 |
|---|---|
| Molecular Weight | 222.14 g/mol |
| LogP | 2.873 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.13683 |
| Heavy Atoms | 16 |
| Complexity | 331.37692 |
Chemical Identifiers
| CAS Number | 418774-60-4 |
|---|---|
| SMILES | CCC(CC)NCC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
N-[(4-nitrophenyl)methyl]pentan-3-amine (CAS 418774-60-4), with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol. IUPAC: N-[(4-nitrophenyl)methyl]pentan-3-amine.
Chemical Property Profile of N-[(4-nitrophenyl)methyl]pentan-3-amine
Property Insights of N-[(4-nitrophenyl)methyl]pentan-3-amine
The XLogP value of 2.873 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-nitrophenyl)methyl]pentan-3-amine. With a topological polar surface area (TPSA) of 55.17 Ų, N-[(4-nitrophenyl)methyl]pentan-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(4-nitrophenyl)methyl]pentan-3-amine 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 N-[(4-nitrophenyl)methyl]pentan-3-amine?
The CAS number of N-[(4-nitrophenyl)methyl]pentan-3-amine is 418774-60-4.
What is the molecular formula of N-[(4-nitrophenyl)methyl]pentan-3-amine?
The molecular formula of N-[(4-nitrophenyl)methyl]pentan-3-amine is C12H18N2O2.
What is the molecular weight of N-[(4-nitrophenyl)methyl]pentan-3-amine?
The molecular weight of N-[(4-nitrophenyl)methyl]pentan-3-amine is 222.14 g/mol.
Where can I buy N-[(4-nitrophenyl)methyl]pentan-3-amine?
You can request a quote for N-[(4-nitrophenyl)methyl]pentan-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-nitrophenyl)methyl]pentan-3-amine?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-nitrophenyl)methyl]pentan-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.