2-((Propan-2-yl)amino)acetonitrile
TL;DR: 2-((Propan-2-yl)amino)acetonitrile (CAS 16728-80-6) is a chemical compound with molecular formula C5H10N2 and molecular weight 98.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(propan-2-ylamino)acetonitrile
Also Known As: 2-(isopropylamino)acetonitrile, 2-[(propan-2-yl)amino]acetonitrile, 2-(propan-2-ylamino)acetonitrile, isopropylaminoacetonitrile, (Isopropylamino)acetonitrile
| Molecular Formula | C5H10N2 |
|---|---|
| Molecular Weight | 98.08 g/mol |
| LogP | 0.50798 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 98.0844 |
| Heavy Atoms | 7 |
| Complexity | 70.639565 |
Chemical Identifiers
| CAS Number | 16728-80-6 |
|---|---|
| SMILES | CC(C)NCC#N |
Product Overview
2-((Propan-2-yl)amino)acetonitrile (CAS 16728-80-6), with molecular formula C5H10N2 and molecular weight 98.08 g/mol. IUPAC: 2-(propan-2-ylamino)acetonitrile.
Chemical Property Profile of 2-((Propan-2-yl)amino)acetonitrile
Property Insights of 2-((Propan-2-yl)amino)acetonitrile
The XLogP value of 0.50798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((Propan-2-yl)amino)acetonitrile. With a topological polar surface area (TPSA) of 35.82 Ų, 2-((Propan-2-yl)amino)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((Propan-2-yl)amino)acetonitrile has 1 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 2-((Propan-2-yl)amino)acetonitrile?
The CAS number of 2-((Propan-2-yl)amino)acetonitrile is 16728-80-6.
What is the molecular formula of 2-((Propan-2-yl)amino)acetonitrile?
The molecular formula of 2-((Propan-2-yl)amino)acetonitrile is C5H10N2.
What is the molecular weight of 2-((Propan-2-yl)amino)acetonitrile?
The molecular weight of 2-((Propan-2-yl)amino)acetonitrile is 98.08 g/mol.
Where can I buy 2-((Propan-2-yl)amino)acetonitrile?
You can request a quote for 2-((Propan-2-yl)amino)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((Propan-2-yl)amino)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((Propan-2-yl)amino)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.