![[(4-Phenylbutan-2-yl)amino]acetonitrile structure](/static/products/3003/300388-87-8.webp)
[(4-Phenylbutan-2-yl)amino]acetonitrile
TL;DR: [(4-Phenylbutan-2-yl)amino]acetonitrile (CAS 300388-87-8) is a chemical compound with molecular formula C12H16N2 and molecular weight 188.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-phenylbutan-2-ylamino)acetonitrile
Also Known As: [(4-phenylbutan-2-yl)amino]acetonitrile, 2-(4-phenylbutan-2-ylamino)acetonitrile
| Molecular Formula | C12H16N2 |
|---|---|
| Molecular Weight | 188.13 g/mol |
| LogP | 2.12088 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 188.13135 |
| Heavy Atoms | 14 |
| Complexity | 286.9401 |
Chemical Identifiers
| CAS Number | 300388-87-8 |
|---|---|
| SMILES | CC(CCC1=CC=CC=C1)NCC#N |
Product Overview
[(4-Phenylbutan-2-yl)amino]acetonitrile (CAS 300388-87-8), with molecular formula C12H16N2 and molecular weight 188.13 g/mol. IUPAC: 2-(4-phenylbutan-2-ylamino)acetonitrile.
Chemical Property Profile of [(4-Phenylbutan-2-yl)amino]acetonitrile
Property Insights of [(4-Phenylbutan-2-yl)amino]acetonitrile
The XLogP value of 2.12088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(4-Phenylbutan-2-yl)amino]acetonitrile. With a topological polar surface area (TPSA) of 35.82 Ų, [(4-Phenylbutan-2-yl)amino]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(4-Phenylbutan-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 [(4-Phenylbutan-2-yl)amino]acetonitrile?
The CAS number of [(4-Phenylbutan-2-yl)amino]acetonitrile is 300388-87-8.
What is the molecular formula of [(4-Phenylbutan-2-yl)amino]acetonitrile?
The molecular formula of [(4-Phenylbutan-2-yl)amino]acetonitrile is C12H16N2.
What is the molecular weight of [(4-Phenylbutan-2-yl)amino]acetonitrile?
The molecular weight of [(4-Phenylbutan-2-yl)amino]acetonitrile is 188.13 g/mol.
Where can I buy [(4-Phenylbutan-2-yl)amino]acetonitrile?
You can request a quote for [(4-Phenylbutan-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 [(4-Phenylbutan-2-yl)amino]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [(4-Phenylbutan-2-yl)amino]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.