Allylamine, N-ethyl-2-methyl-N-nitroso-
TL;DR: Allylamine, N-ethyl-2-methyl-N-nitroso- (CAS 68630-39-7) is a chemical compound with molecular formula C6H12N2O and molecular weight 128.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-but-3-en-2-yl-N-ethylnitrous amide
Also Known As: N-Ethyl-2-methyl-N-nitrosoallylamine, N-Ethyl-N-(2-methylallyl)-N-nitrosamine, N-but-3-en-2-yl-N-ethylnitrous amide, ALLYLAMINE, N-ETHYL-2-METHYL-N-NITROSO-, N-(But-3-en-2-yl)-N-ethylnitrous amide
| Molecular Formula | C6H12N2O |
|---|---|
| Molecular Weight | 128.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.09496 |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 68630-39-7 |
|---|---|
| SMILES | CCN(C(C)C=C)N=O |
| InChIKey | VUAGLJHHBPCNDX-UHFFFAOYSA-N |
Product Overview
Allylamine, N-ethyl-2-methyl-N-nitroso- (CAS 68630-39-7), with molecular formula C6H12N2O and molecular weight 128.09 g/mol. IUPAC: N-but-3-en-2-yl-N-ethylnitrous amide.
Chemical Property Profile of Allylamine, N-ethyl-2-methyl-N-nitroso-
Property Insights of Allylamine, N-ethyl-2-methyl-N-nitroso-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allylamine, N-ethyl-2-methyl-N-nitroso-. With a topological polar surface area (TPSA) of 32.7 Ų, Allylamine, N-ethyl-2-methyl-N-nitroso- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allylamine, N-ethyl-2-methyl-N-nitroso- has 0 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 Allylamine, N-ethyl-2-methyl-N-nitroso-?
The CAS number of Allylamine, N-ethyl-2-methyl-N-nitroso- is 68630-39-7.
What is the molecular formula of Allylamine, N-ethyl-2-methyl-N-nitroso-?
The molecular formula of Allylamine, N-ethyl-2-methyl-N-nitroso- is C6H12N2O.
What is the molecular weight of Allylamine, N-ethyl-2-methyl-N-nitroso-?
The molecular weight of Allylamine, N-ethyl-2-methyl-N-nitroso- is 128.09 g/mol.
Where can I buy Allylamine, N-ethyl-2-methyl-N-nitroso-?
You can request a quote for Allylamine, N-ethyl-2-methyl-N-nitroso- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allylamine, N-ethyl-2-methyl-N-nitroso-?
Yes, KEHONG BIO provides custom synthesis services for Allylamine, N-ethyl-2-methyl-N-nitroso- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.