N-(2-溴苄基)-N-甲基丙-2-炔-1-胺
TL;DR: N-(2-溴苄基)-N-甲基丙-2-炔-1-胺 (CAS 879-95-8) is a chemical compound with molecular formula C11H12BrN and molecular weight 237.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-溴苄基)-N-甲基丙-2-炔-1-胺
N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine
Also Known As: n-(2-bromobenzyl)-n-methylprop-2-yn-1-amine, Benzylamine, o-bromo-N-methyl-N-2-propynyl-,, 2-bromo-N-methyl-N-2-propynyl-benzenemethanamine, N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine
| Molecular Formula | C11H12BrN |
|---|---|
| Molecular Weight | 237.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.0153 |
| Heavy Atoms | 13 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 879-95-8 |
|---|---|
| SMILES | CN(CC#C)CC1=CC=CC=C1Br |
| InChIKey | RAQPZRZYBLVXPM-UHFFFAOYSA-N |
Product Overview
N-(2-溴苄基)-N-甲基丙-2-炔-1-胺 (CAS 879-95-8), with molecular formula C11H12BrN and molecular weight 237.02 g/mol. IUPAC: N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine.
Chemical Property Profile of N-(2-溴苄基)-N-甲基丙-2-炔-1-胺
Property Insights of N-(2-溴苄基)-N-甲基丙-2-炔-1-胺
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-溴苄基)-N-甲基丙-2-炔-1-胺. With a topological polar surface area (TPSA) of 3.2 Ų, N-(2-溴苄基)-N-甲基丙-2-炔-1-胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-溴苄基)-N-甲基丙-2-炔-1-胺 has 0 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-(2-溴苄基)-N-甲基丙-2-炔-1-胺?
The CAS number of N-(2-溴苄基)-N-甲基丙-2-炔-1-胺 is 879-95-8.
What is the molecular formula of N-(2-溴苄基)-N-甲基丙-2-炔-1-胺?
The molecular formula of N-(2-溴苄基)-N-甲基丙-2-炔-1-胺 is C11H12BrN.
What is the molecular weight of N-(2-溴苄基)-N-甲基丙-2-炔-1-胺?
The molecular weight of N-(2-溴苄基)-N-甲基丙-2-炔-1-胺 is 237.02 g/mol.
Where can I buy N-(2-溴苄基)-N-甲基丙-2-炔-1-胺?
You can request a quote for N-(2-溴苄基)-N-甲基丙-2-炔-1-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-溴苄基)-N-甲基丙-2-炔-1-胺?
Yes, KEHONG BIO provides custom synthesis services for N-(2-溴苄基)-N-甲基丙-2-炔-1-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.