2-Amino-2-phenylacetonitrile hydrochloride
TL;DR: 2-Amino-2-phenylacetonitrile hydrochloride (CAS 53641-60-4) is a chemical compound with molecular formula C8H9ClN2 and molecular weight 168.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano(phenyl)methyl]azanium chloride
Also Known As: 2-Phenylglycinonitrile hydrochloride, (alpha-Cyanobenzyl)ammonium chloride, 2-Amino-2-phenylacetonitrile hydrochloride, alpha-Aminobenzyl cyanide hydrochloride, [cyano(phenyl)methyl]azanium chloride
| Molecular Formula | C8H9ClN2 |
|---|---|
| Molecular Weight | 168.05 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 51.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.04543 |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 53641-60-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)[NH3+].[Cl-] |
| InChIKey | OGSYCVCLXAFDNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-2-phenylacetonitrile hydrochloride (CAS 53641-60-4), with molecular formula C8H9ClN2 and molecular weight 168.05 g/mol. IUPAC: [cyano(phenyl)methyl]azanium chloride.
Chemical Property Profile of 2-Amino-2-phenylacetonitrile hydrochloride
Property Insights of 2-Amino-2-phenylacetonitrile hydrochloride
The XLogP value of -2.5 indicates that 2-Amino-2-phenylacetonitrile hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.4 Ų, 2-Amino-2-phenylacetonitrile hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-2-phenylacetonitrile hydrochloride 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-Amino-2-phenylacetonitrile hydrochloride?
The CAS number of 2-Amino-2-phenylacetonitrile hydrochloride is 53641-60-4.
What is the molecular formula of 2-Amino-2-phenylacetonitrile hydrochloride?
The molecular formula of 2-Amino-2-phenylacetonitrile hydrochloride is C8H9ClN2.
What is the molecular weight of 2-Amino-2-phenylacetonitrile hydrochloride?
The molecular weight of 2-Amino-2-phenylacetonitrile hydrochloride is 168.05 g/mol.
Where can I buy 2-Amino-2-phenylacetonitrile hydrochloride?
You can request a quote for 2-Amino-2-phenylacetonitrile hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-2-phenylacetonitrile hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-2-phenylacetonitrile hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.