N-(1-甲基乙基)-3-硝基苄胺
TL;DR: N-(1-甲基乙基)-3-硝基苄胺 (CAS 91331-68-9) is a chemical compound with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-甲基乙基)-3-硝基苄胺
N-[(3-nitrophenyl)methyl]propan-2-amine
Also Known As: Benzylamine der, N-(3-nitrobenzyl)propan-2-amine, Isopropyl-(3-nitro-benzyl)-amine, Ethyl-(3-nitro-benzyl)-amine, CHEMBRDG-BB 5527337
| Molecular Formula | C10H14N2O2 |
|---|---|
| Molecular Weight | 194.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.10553 |
| Heavy Atoms | 14 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 91331-68-9 |
|---|---|
| SMILES | CC(C)NCC1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | WKELDPMQVANRBL-UHFFFAOYSA-N |
Product Overview
N-(1-甲基乙基)-3-硝基苄胺 (CAS 91331-68-9), with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol. IUPAC: N-[(3-nitrophenyl)methyl]propan-2-amine.
Chemical Property Profile of N-(1-甲基乙基)-3-硝基苄胺
Property Insights of N-(1-甲基乙基)-3-硝基苄胺
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-甲基乙基)-3-硝基苄胺. With a topological polar surface area (TPSA) of 57.9 Ų, N-(1-甲基乙基)-3-硝基苄胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-甲基乙基)-3-硝基苄胺 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-(1-甲基乙基)-3-硝基苄胺?
The CAS number of N-(1-甲基乙基)-3-硝基苄胺 is 91331-68-9.
What is the molecular formula of N-(1-甲基乙基)-3-硝基苄胺?
The molecular formula of N-(1-甲基乙基)-3-硝基苄胺 is C10H14N2O2.
What is the molecular weight of N-(1-甲基乙基)-3-硝基苄胺?
The molecular weight of N-(1-甲基乙基)-3-硝基苄胺 is 194.11 g/mol.
Where can I buy N-(1-甲基乙基)-3-硝基苄胺?
You can request a quote for N-(1-甲基乙基)-3-硝基苄胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-甲基乙基)-3-硝基苄胺?
Yes, KEHONG BIO provides custom synthesis services for N-(1-甲基乙基)-3-硝基苄胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.