N,N-Diisopropylaminoacetonitrile
TL;DR: N,N-Diisopropylaminoacetonitrile (CAS 6331-17-5) is a chemical compound with molecular formula C8H16N2 and molecular weight 140.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[di(propan-2-yl)amino]acetonitrile
Also Known As: Diisopropylaminoacetonitrile, (Diisopropylamino)Acetonitrile, 2-(diisopropylamino)acetonitrile, 2-[di(propan-2-yl)amino]acetonitrile, N,N-diisopropyl-glycine nitrile
| Molecular Formula | C8H16N2 |
|---|---|
| Molecular Weight | 140.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 140.13135 |
| Heavy Atoms | 10 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 6331-17-5 |
|---|---|
| SMILES | CC(C)N(CC#N)C(C)C |
| InChIKey | KRHUHTLKXFFVGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Diisopropylaminoacetonitrile (CAS 6331-17-5), with molecular formula C8H16N2 and molecular weight 140.13 g/mol. IUPAC: 2-[di(propan-2-yl)amino]acetonitrile.
Chemical Property Profile of N,N-Diisopropylaminoacetonitrile
Property Insights of N,N-Diisopropylaminoacetonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Diisopropylaminoacetonitrile. With a topological polar surface area (TPSA) of 27.0 Ų, N,N-Diisopropylaminoacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Diisopropylaminoacetonitrile 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 N,N-Diisopropylaminoacetonitrile?
The CAS number of N,N-Diisopropylaminoacetonitrile is 6331-17-5.
What is the molecular formula of N,N-Diisopropylaminoacetonitrile?
The molecular formula of N,N-Diisopropylaminoacetonitrile is C8H16N2.
What is the molecular weight of N,N-Diisopropylaminoacetonitrile?
The molecular weight of N,N-Diisopropylaminoacetonitrile is 140.13 g/mol.
Where can I buy N,N-Diisopropylaminoacetonitrile?
You can request a quote for N,N-Diisopropylaminoacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Diisopropylaminoacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for N,N-Diisopropylaminoacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.