Diallylnitrosamine
TL;DR: Diallylnitrosamine (CAS 16338-97-9) is a chemical compound with molecular formula C6H10N2O and molecular weight 126.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(prop-2-enyl)nitrous amide
Also Known As: Diallylnitrosamine, Diallylnitrosamin, Nitrosodiallyamine, N-Diallynitrosamine, N-Nitrosodiallylamine
| Molecular Formula | C6H10N2O |
|---|---|
| Molecular Weight | 126.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 126.079315 |
| Heavy Atoms | 9 |
| Complexity | 102.0 |
| Vapor Pressure | 0.1 [mmHg] |
Chemical Identifiers
| CAS Number | 16338-97-9 |
|---|---|
| SMILES | C=CCN(CC=C)N=O |
| InChIKey | GRYFJBRXMFVEIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diallylnitrosamine (CAS 16338-97-9), with molecular formula C6H10N2O and molecular weight 126.08 g/mol. IUPAC: N,N-bis(prop-2-enyl)nitrous amide.
Chemical Property Profile of Diallylnitrosamine
Property Insights of Diallylnitrosamine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diallylnitrosamine. With a topological polar surface area (TPSA) of 32.7 Ų, Diallylnitrosamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diallylnitrosamine 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 Diallylnitrosamine?
The CAS number of Diallylnitrosamine is 16338-97-9.
What is the molecular formula of Diallylnitrosamine?
The molecular formula of Diallylnitrosamine is C6H10N2O.
What is the molecular weight of Diallylnitrosamine?
The molecular weight of Diallylnitrosamine is 126.08 g/mol.
Where can I buy Diallylnitrosamine?
You can request a quote for Diallylnitrosamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diallylnitrosamine?
Yes, KEHONG BIO provides custom synthesis services for Diallylnitrosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.