3-Hydroxy-2-(methylamino)-3-phenylpropanenitrile
TL;DR: 3-Hydroxy-2-(methylamino)-3-phenylpropanenitrile (CAS 64399-68-4) is a chemical compound with molecular formula C10H12N2O and molecular weight 176.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-(methylamino)-3-phenylpropanenitrile
Also Known As: 3-hydroxy-2-(methylamino)-3-phenylpropanenitrile, BENZENEPROPANENITRILE, B-HYDROXY-A-(METHYLAMINO)-
| Molecular Formula | C10H12N2O |
|---|---|
| Molecular Weight | 176.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 56.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.09496 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 64399-68-4 |
|---|---|
| SMILES | CNC(C#N)C(C1=CC=CC=C1)O |
| InChIKey | CHPQFTNGMKSQNS-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-2-(methylamino)-3-phenylpropanenitrile (CAS 64399-68-4), with molecular formula C10H12N2O and molecular weight 176.09 g/mol. IUPAC: 3-hydroxy-2-(methylamino)-3-phenylpropanenitrile.
Chemical Property Profile of 3-Hydroxy-2-(methylamino)-3-phenylpropanenitrile
Property Insights of 3-Hydroxy-2-(methylamino)-3-phenylpropanenitrile
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-2-(methylamino)-3-phenylpropanenitrile. With a topological polar surface area (TPSA) of 56.1 Ų, 3-Hydroxy-2-(methylamino)-3-phenylpropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-2-(methylamino)-3-phenylpropanenitrile has 2 hydrogen bond donor(s) and 3 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 3-Hydroxy-2-(methylamino)-3-phenylpropanenitrile?
The CAS number of 3-Hydroxy-2-(methylamino)-3-phenylpropanenitrile is 64399-68-4.
What is the molecular formula of 3-Hydroxy-2-(methylamino)-3-phenylpropanenitrile?
The molecular formula of 3-Hydroxy-2-(methylamino)-3-phenylpropanenitrile is C10H12N2O.
What is the molecular weight of 3-Hydroxy-2-(methylamino)-3-phenylpropanenitrile?
The molecular weight of 3-Hydroxy-2-(methylamino)-3-phenylpropanenitrile is 176.09 g/mol.
Where can I buy 3-Hydroxy-2-(methylamino)-3-phenylpropanenitrile?
You can request a quote for 3-Hydroxy-2-(methylamino)-3-phenylpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-2-(methylamino)-3-phenylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2-(methylamino)-3-phenylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.