4,4-Dimethyl-5-((beta-hydroxy-alpha-methylphenethyl)amino)valeronitrile hydrochloride
TL;DR: 4,4-Dimethyl-5-((beta-hydroxy-alpha-methylphenethyl)amino)valeronitrile hydrochloride (CAS 18855-07-7) is a chemical compound with molecular formula C16H25ClN2O and molecular weight 296.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1-hydroxy-1-phenylpropan-2-yl)amino]-4,4-dimethylpentanenitrile;hydrochloride
Also Known As: 4,4-Dimethyl-5-((beta-hydroxy-alpha-methylphenethyl)amino)valeronitrile hydrochloride, Valeronitrile, 4,4-dimethyl-5-((beta-hydroxy-alpha-methylphenethyl)amino)-, hydrochloride, 5-[(1-hydroxy-1-phenylpropan-2-yl)amino]-4,4-dimethylpentanenitrile hydrochloride, 5-[(1-Hydroxy-1-phenylpropan-2-yl)amino]-4,4-dimethylpentanenitrile--hydrogen chloride (1/1)
| Molecular Formula | C16H25ClN2O |
|---|---|
| Molecular Weight | 296.17 g/mol |
| LogP | 3.44988 |
| Topological Polar Surface Area | 56.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 296.16553 |
| Heavy Atoms | 20 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 18855-07-7 |
|---|---|
| SMILES | CC(C(C1=CC=CC=C1)O)NCC(C)(C)CCC#N.Cl |
| InChIKey | DQVUFJBOIHSKOK-UHFFFAOYSA-N |
Product Overview
4,4-Dimethyl-5-((beta-hydroxy-alpha-methylphenethyl)amino)valeronitrile hydrochloride (CAS 18855-07-7), with molecular formula C16H25ClN2O and molecular weight 296.17 g/mol. IUPAC: 5-[(1-hydroxy-1-phenylpropan-2-yl)amino]-4,4-dimethylpentanenitrile;hydrochloride.
Chemical Property Profile of 4,4-Dimethyl-5-((beta-hydroxy-alpha-methylphenethyl)amino)valeronitrile hydrochloride
Property Insights of 4,4-Dimethyl-5-((beta-hydroxy-alpha-methylphenethyl)amino)valeronitrile hydrochloride
The XLogP value of 3.44988 indicates that 4,4-Dimethyl-5-((beta-hydroxy-alpha-methylphenethyl)amino)valeronitrile hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.1 Ų, 4,4-Dimethyl-5-((beta-hydroxy-alpha-methylphenethyl)amino)valeronitrile hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethyl-5-((beta-hydroxy-alpha-methylphenethyl)amino)valeronitrile hydrochloride has 3 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 4,4-Dimethyl-5-((beta-hydroxy-alpha-methylphenethyl)amino)valeronitrile hydrochloride?
The CAS number of 4,4-Dimethyl-5-((beta-hydroxy-alpha-methylphenethyl)amino)valeronitrile hydrochloride is 18855-07-7.
What is the molecular formula of 4,4-Dimethyl-5-((beta-hydroxy-alpha-methylphenethyl)amino)valeronitrile hydrochloride?
The molecular formula of 4,4-Dimethyl-5-((beta-hydroxy-alpha-methylphenethyl)amino)valeronitrile hydrochloride is C16H25ClN2O.
What is the molecular weight of 4,4-Dimethyl-5-((beta-hydroxy-alpha-methylphenethyl)amino)valeronitrile hydrochloride?
The molecular weight of 4,4-Dimethyl-5-((beta-hydroxy-alpha-methylphenethyl)amino)valeronitrile hydrochloride is 296.17 g/mol.
Where can I buy 4,4-Dimethyl-5-((beta-hydroxy-alpha-methylphenethyl)amino)valeronitrile hydrochloride?
You can request a quote for 4,4-Dimethyl-5-((beta-hydroxy-alpha-methylphenethyl)amino)valeronitrile hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-5-((beta-hydroxy-alpha-methylphenethyl)amino)valeronitrile hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-5-((beta-hydroxy-alpha-methylphenethyl)amino)valeronitrile hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.