(Dodecylamino)acetonitrile
TL;DR: (Dodecylamino)acetonitrile (CAS 6953-43-1) is a chemical compound with molecular formula C14H28N2 and molecular weight 224.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dodecylamino)acetonitrile
Also Known As: (dodecylamino)acetonitrile, dodecylaminoacetonitrile, 2-(dodecylamino)acetonitrile, KST-1A7628
| Molecular Formula | C14H28N2 |
|---|---|
| Molecular Weight | 224.23 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 224.22525 |
| Heavy Atoms | 16 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 6953-43-1 |
|---|---|
| SMILES | CCCCCCCCCCCCNCC#N |
| InChIKey | BHSZNPPPFMICJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(Dodecylamino)acetonitrile (CAS 6953-43-1), with molecular formula C14H28N2 and molecular weight 224.23 g/mol. IUPAC: 2-(dodecylamino)acetonitrile.
Chemical Property Profile of (Dodecylamino)acetonitrile
Property Insights of (Dodecylamino)acetonitrile
The XLogP value of 5.2 indicates that (Dodecylamino)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.8 Ų, (Dodecylamino)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Dodecylamino)acetonitrile has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Dodecylamino)acetonitrile?
The CAS number of (Dodecylamino)acetonitrile is 6953-43-1.
What is the molecular formula of (Dodecylamino)acetonitrile?
The molecular formula of (Dodecylamino)acetonitrile is C14H28N2.
What is the molecular weight of (Dodecylamino)acetonitrile?
The molecular weight of (Dodecylamino)acetonitrile is 224.23 g/mol.
Where can I buy (Dodecylamino)acetonitrile?
You can request a quote for (Dodecylamino)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Dodecylamino)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (Dodecylamino)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.