3-Carboxy-N,N,N-trimethylprop-2-en-1-aminium chloride
TL;DR: 3-Carboxy-N,N,N-trimethylprop-2-en-1-aminium chloride (CAS 6538-82-5) is a chemical compound with molecular formula C7H14ClNO2 and molecular weight 179.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-carboxyprop-2-enyl(trimethyl)azanium chloride
Also Known As: Crotonobetaine hydrochloride, Levocarnitine impurity A CRS, Levocarnitine Related Compound A, (3-Carboxyallyl)trimethylammonium chloride, 3-Carboxy-N,N,N-trimethylprop-2-en-1-aminium chloride
| Molecular Formula | C7H14ClNO2 |
|---|---|
| Molecular Weight | 179.07 g/mol |
| LogP | -2.6626 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.0713 |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 6538-82-5 |
|---|---|
| SMILES | C[N+](C)(C)CC=CC(=O)O.[Cl-] |
| InChIKey | PUKNFWRLBQXPFL-UHFFFAOYSA-N |
Product Overview
3-Carboxy-N,N,N-trimethylprop-2-en-1-aminium chloride (CAS 6538-82-5), with molecular formula C7H14ClNO2 and molecular weight 179.07 g/mol. IUPAC: 3-carboxyprop-2-enyl(trimethyl)azanium chloride.
Chemical Property Profile of 3-Carboxy-N,N,N-trimethylprop-2-en-1-aminium chloride
Property Insights of 3-Carboxy-N,N,N-trimethylprop-2-en-1-aminium chloride
The XLogP value of -2.6626 indicates that 3-Carboxy-N,N,N-trimethylprop-2-en-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 37.3 Ų, 3-Carboxy-N,N,N-trimethylprop-2-en-1-aminium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Carboxy-N,N,N-trimethylprop-2-en-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-Carboxy-N,N,N-trimethylprop-2-en-1-aminium chloride?
The CAS number of 3-Carboxy-N,N,N-trimethylprop-2-en-1-aminium chloride is 6538-82-5.
What is the molecular formula of 3-Carboxy-N,N,N-trimethylprop-2-en-1-aminium chloride?
The molecular formula of 3-Carboxy-N,N,N-trimethylprop-2-en-1-aminium chloride is C7H14ClNO2.
What is the molecular weight of 3-Carboxy-N,N,N-trimethylprop-2-en-1-aminium chloride?
The molecular weight of 3-Carboxy-N,N,N-trimethylprop-2-en-1-aminium chloride is 179.07 g/mol.
Where can I buy 3-Carboxy-N,N,N-trimethylprop-2-en-1-aminium chloride?
You can request a quote for 3-Carboxy-N,N,N-trimethylprop-2-en-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-Carboxy-N,N,N-trimethylprop-2-en-1-aminium chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Carboxy-N,N,N-trimethylprop-2-en-1-aminium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.