4-(Trimethylazaniumyl)butanimidate--hydrogen chloride (1/1)
TL;DR: 4-(Trimethylazaniumyl)butanimidate--hydrogen chloride (1/1) (CAS 54399-89-2) is a chemical compound with molecular formula C7H17ClN2O and molecular weight 180.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-amino-4-oxobutyl)-trimethylazanium chloride
Also Known As: 4-(Trimethylammonio)butyramide chloride, BUTYRAMIDE, 4-(TRIMETHYLAMMONIO)-, CHLORIDE, (4-amino-4-oxobutyl)-trimethylazanium chloride, 1-Butanaminium, 4-amino-N,N,N-trimethyl-4-oxo-, chloride, 4-(Trimethylazaniumyl)butanimidate--hydrogen chloride (1/1)
| Molecular Formula | C7H17ClN2O |
|---|---|
| Molecular Weight | 180.10 g/mol |
| LogP | -3.04 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.10294 |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 54399-89-2 |
|---|---|
| SMILES | C[N+](C)(C)CCCC(=O)N.[Cl-] |
| InChIKey | JCQFGWISZJOFFK-UHFFFAOYSA-N |
Product Overview
4-(Trimethylazaniumyl)butanimidate--hydrogen chloride (1/1) (CAS 54399-89-2), with molecular formula C7H17ClN2O and molecular weight 180.10 g/mol. IUPAC: (4-amino-4-oxobutyl)-trimethylazanium chloride.
Chemical Property Profile of 4-(Trimethylazaniumyl)butanimidate--hydrogen chloride (1/1)
Property Insights of 4-(Trimethylazaniumyl)butanimidate--hydrogen chloride (1/1)
The XLogP value of -3.04 indicates that 4-(Trimethylazaniumyl)butanimidate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.1 Ų, 4-(Trimethylazaniumyl)butanimidate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trimethylazaniumyl)butanimidate--hydrogen chloride (1/1) 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 4-(Trimethylazaniumyl)butanimidate--hydrogen chloride (1/1)?
The CAS number of 4-(Trimethylazaniumyl)butanimidate--hydrogen chloride (1/1) is 54399-89-2.
What is the molecular formula of 4-(Trimethylazaniumyl)butanimidate--hydrogen chloride (1/1)?
The molecular formula of 4-(Trimethylazaniumyl)butanimidate--hydrogen chloride (1/1) is C7H17ClN2O.
What is the molecular weight of 4-(Trimethylazaniumyl)butanimidate--hydrogen chloride (1/1)?
The molecular weight of 4-(Trimethylazaniumyl)butanimidate--hydrogen chloride (1/1) is 180.10 g/mol.
Where can I buy 4-(Trimethylazaniumyl)butanimidate--hydrogen chloride (1/1)?
You can request a quote for 4-(Trimethylazaniumyl)butanimidate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trimethylazaniumyl)butanimidate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trimethylazaniumyl)butanimidate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.