苄基二甲基(2-氧丙基)氯化铵
TL;DR: 苄基二甲基(2-氧丙基)氯化铵 (CAS 13171-36-3) is a chemical compound with molecular formula C12H18ClNO and molecular weight 227.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄基二甲基(2-氧丙基)氯化铵
benzyl-dimethyl-(2-oxopropyl)azanium chloride
Also Known As: benzyl-dimethyl-(2-oxopropyl)azanium chloride, Ammonium, acetonylbenzyldimethyl-, chloride, benzyl-dimethyl-(2-oxopropyl)azanium,chloride, ACETONYL BENZYL DIMETHYL AMMONIUM CHLORIDE, N-benzyl-N,N-dimethyl-2-oxopropan-1-aminium chloride
| Molecular Formula | C12H18ClNO |
|---|---|
| Molecular Weight | 227.11 g/mol |
| LogP | -1.14 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.1077 |
| Heavy Atoms | 15 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 13171-36-3 |
|---|---|
| SMILES | CC(=O)C[N+](C)(C)CC1=CC=CC=C1.[Cl-] |
| InChIKey | OEEYPWMITPUJSX-UHFFFAOYSA-M |
Product Overview
苄基二甲基(2-氧丙基)氯化铵 (CAS 13171-36-3), with molecular formula C12H18ClNO and molecular weight 227.11 g/mol. IUPAC: benzyl-dimethyl-(2-oxopropyl)azanium chloride.
Chemical Property Profile of 苄基二甲基(2-氧丙基)氯化铵
Property Insights of 苄基二甲基(2-氧丙基)氯化铵
The XLogP value of -1.14 indicates that 苄基二甲基(2-氧丙基)氯化铵 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 17.1 Ų, 苄基二甲基(2-氧丙基)氯化铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苄基二甲基(2-氧丙基)氯化铵 has 0 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 苄基二甲基(2-氧丙基)氯化铵?
The CAS number of 苄基二甲基(2-氧丙基)氯化铵 is 13171-36-3.
What is the molecular formula of 苄基二甲基(2-氧丙基)氯化铵?
The molecular formula of 苄基二甲基(2-氧丙基)氯化铵 is C12H18ClNO.
What is the molecular weight of 苄基二甲基(2-氧丙基)氯化铵?
The molecular weight of 苄基二甲基(2-氧丙基)氯化铵 is 227.11 g/mol.
Where can I buy 苄基二甲基(2-氧丙基)氯化铵?
You can request a quote for 苄基二甲基(2-氧丙基)氯化铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄基二甲基(2-氧丙基)氯化铵?
Yes, KEHONG BIO provides custom synthesis services for 苄基二甲基(2-氧丙基)氯化铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.