Diisopentylaminoacetonitrile
TL;DR: Diisopentylaminoacetonitrile (CAS 721401-54-3) is a chemical compound with molecular formula C12H24N2 and molecular weight 196.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(3-methylbutyl)amino]acetonitrile
Also Known As: Diisopentylaminoacetonitrile, 2-[bis(3-methylbutyl)amino]acetonitrile, [Bis(3-methylbutyl)amino]acetonitrile
| Molecular Formula | C12H24N2 |
|---|---|
| Molecular Weight | 196.19 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 196.19395 |
| Heavy Atoms | 14 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 721401-54-3 |
|---|---|
| SMILES | CC(C)CCN(CCC(C)C)CC#N |
| InChIKey | VYQDBONQWADXIP-UHFFFAOYSA-N |
Product Overview
Diisopentylaminoacetonitrile (CAS 721401-54-3), with molecular formula C12H24N2 and molecular weight 196.19 g/mol. IUPAC: 2-[bis(3-methylbutyl)amino]acetonitrile.
Chemical Property Profile of Diisopentylaminoacetonitrile
Property Insights of Diisopentylaminoacetonitrile
The XLogP value of 3.4 indicates that Diisopentylaminoacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, Diisopentylaminoacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisopentylaminoacetonitrile has 0 hydrogen bond donor(s) and 2 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 Diisopentylaminoacetonitrile?
The CAS number of Diisopentylaminoacetonitrile is 721401-54-3.
What is the molecular formula of Diisopentylaminoacetonitrile?
The molecular formula of Diisopentylaminoacetonitrile is C12H24N2.
What is the molecular weight of Diisopentylaminoacetonitrile?
The molecular weight of Diisopentylaminoacetonitrile is 196.19 g/mol.
Where can I buy Diisopentylaminoacetonitrile?
You can request a quote for Diisopentylaminoacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisopentylaminoacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Diisopentylaminoacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.