3-Amino-2-hydroxypropyl 4-(butylamino)benzoate--hydrogen chloride (1/1)
TL;DR: 3-Amino-2-hydroxypropyl 4-(butylamino)benzoate--hydrogen chloride (1/1) (CAS 100311-21-5) is a chemical compound with molecular formula C14H23ClN2O3 and molecular weight 302.1397 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-[4-(butylamino)benzoyl]oxy-2-hydroxypropyl]azanium chloride
Also Known As: Tussicain hydrochloride, 3-Amino-2-hydroxypropyl p-(butylamino)benzoate hydrochloride, 4-Butylamino-benzoesaeure-gamma-amino-beta-hydroxy-propyl-ester hydrochlorid [German], BENZOIC ACID, p-(BUTYLAMINO)-, 3-AMINO-2-HYDROXYPROPYL ESTER, HYDROCHLORIDE, [3-[4-(butylamino)benzoyl]oxy-2-hydroxypropyl]azanium chloride
Technical Specifications
| Molecular Formula | C14H23ClN2O3 |
| Molecular Weight | 302.1397 g/mol |
| XLogP | -2.34 |
| Topological Polar Surface Area (TPSA) | 86.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 302.1397 Da |
| Heavy Atoms | 20 |
| Complexity | 253.0 |
| SMILES | CCCCNC1=CC=C(C=C1)C(=O)OCC(C[NH3+])O.[Cl-] |
| InChIKey | YXTIJVKBDFBNIG-UHFFFAOYSA-N |
Chemical Property Profile of 3-Amino-2-hydroxypropyl 4-(butylamino)benzoate--hydrogen chloride (1/1)
Property Insights of 3-Amino-2-hydroxypropyl 4-(butylamino)benzoate--hydrogen chloride (1/1)
The XLogP value of -2.34 indicates that 3-Amino-2-hydroxypropyl 4-(butylamino)benzoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-2-hydroxypropyl 4-(butylamino)benzoate--hydrogen chloride (1/1). Following Lipinski's Rule of Five, 3-Amino-2-hydroxypropyl 4-(butylamino)benzoate--hydrogen chloride (1/1) has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Amino-2-hydroxypropyl 4-(butylamino)benzoate--hydrogen chloride (1/1)?
The CAS number of 3-Amino-2-hydroxypropyl 4-(butylamino)benzoate--hydrogen chloride (1/1) is 100311-21-5.
What is the molecular formula of 3-Amino-2-hydroxypropyl 4-(butylamino)benzoate--hydrogen chloride (1/1)?
The molecular formula of 3-Amino-2-hydroxypropyl 4-(butylamino)benzoate--hydrogen chloride (1/1) is C14H23ClN2O3.
What is the molecular weight of 3-Amino-2-hydroxypropyl 4-(butylamino)benzoate--hydrogen chloride (1/1)?
The molecular weight of 3-Amino-2-hydroxypropyl 4-(butylamino)benzoate--hydrogen chloride (1/1) is 302.1397 g/mol.
Where can I buy 3-Amino-2-hydroxypropyl 4-(butylamino)benzoate--hydrogen chloride (1/1)?
You can request a quote for 3-Amino-2-hydroxypropyl 4-(butylamino)benzoate--hydrogen chloride (1/1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Amino-2-hydroxypropyl 4-(butylamino)benzoate--hydrogen chloride (1/1)?
Yes, CoreyChem provides custom synthesis services for 3-Amino-2-hydroxypropyl 4-(butylamino)benzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.