2-(Tert-butylamino)acetonitrile
TL;DR: 2-(Tert-butylamino)acetonitrile (CAS 22687-16-7) is a chemical compound with molecular formula C6H12N2 and molecular weight 112.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(tert-butylamino)acetonitrile
Also Known As: 2-(tert-butylamino)acetonitrile, (tert-butylamino)acetonitrile, N-t-butylaminoacetonitrile, t-butylaminoacetonitrile, 2-[(1,1-Dimethylethyl)amino]acetonitrile
| Molecular Formula | C6H12N2 |
|---|---|
| Molecular Weight | 112.10 g/mol |
| LogP | 0.89808 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 112.10005 |
| Heavy Atoms | 8 |
| Complexity | 94.076614 |
Chemical Identifiers
| CAS Number | 22687-16-7 |
|---|---|
| SMILES | CC(C)(C)NCC#N |
Product Overview
2-(Tert-butylamino)acetonitrile (CAS 22687-16-7), with molecular formula C6H12N2 and molecular weight 112.10 g/mol. IUPAC: 2-(tert-butylamino)acetonitrile.
Chemical Property Profile of 2-(Tert-butylamino)acetonitrile
Property Insights of 2-(Tert-butylamino)acetonitrile
The XLogP value of 0.89808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Tert-butylamino)acetonitrile. With a topological polar surface area (TPSA) of 35.82 Ų, 2-(Tert-butylamino)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Tert-butylamino)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-(Tert-butylamino)acetonitrile?
The CAS number of 2-(Tert-butylamino)acetonitrile is 22687-16-7.
What is the molecular formula of 2-(Tert-butylamino)acetonitrile?
The molecular formula of 2-(Tert-butylamino)acetonitrile is C6H12N2.
What is the molecular weight of 2-(Tert-butylamino)acetonitrile?
The molecular weight of 2-(Tert-butylamino)acetonitrile is 112.10 g/mol.
Where can I buy 2-(Tert-butylamino)acetonitrile?
You can request a quote for 2-(Tert-butylamino)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Tert-butylamino)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Tert-butylamino)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.