3-Cyano-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride
TL;DR: 3-Cyano-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride (CAS 1116-95-6) is a chemical compound with molecular formula C7H15ClN2O and molecular weight 178.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-3-cyano-2-hydroxypropyl]-trimethylazanium chloride
Also Known As: D-Carnitinnitrilchlorid, D-Carnitinenitrile chloride, starbld0008776, Levocarnitine impurity 24, Levocarnitine impurity 26
| Molecular Formula | C7H15ClN2O |
|---|---|
| Molecular Weight | 178.09 g/mol |
| LogP | -3.03 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.0873 |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 1116-95-6 |
|---|---|
| SMILES | C[N+](C)(C)C[C@H](CC#N)O.[Cl-] |
| InChIKey | ZOYKKWXSDFNANU-FJXQXJEOSA-M |
Product Overview
3-Cyano-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride (CAS 1116-95-6), with molecular formula C7H15ClN2O and molecular weight 178.09 g/mol. IUPAC: [(2S)-3-cyano-2-hydroxypropyl]-trimethylazanium chloride.
Chemical Property Profile of 3-Cyano-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride
Property Insights of 3-Cyano-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride
The XLogP value of -3.03 indicates that 3-Cyano-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.0 Ų, 3-Cyano-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyano-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride has 1 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-Cyano-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride?
The CAS number of 3-Cyano-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride is 1116-95-6.
What is the molecular formula of 3-Cyano-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride?
The molecular formula of 3-Cyano-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride is C7H15ClN2O.
What is the molecular weight of 3-Cyano-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride?
The molecular weight of 3-Cyano-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride is 178.09 g/mol.
Where can I buy 3-Cyano-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride?
You can request a quote for 3-Cyano-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyano-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.