1,3-Propanediol, 2-butyl-2-methyl-, isopropylaminocarbamate
TL;DR: 1,3-Propanediol, 2-butyl-2-methyl-, isopropylaminocarbamate (CAS 25649-04-1) is a chemical compound with molecular formula C12H26N2O3 and molecular weight 246.19434 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(hydroxymethyl)-2-methylhexyl] N-(propan-2-ylamino)carbamate
Also Known As: 2-Butyl-2-methyl-1,3-propanediol isopropylaminocarbamate, 1,3-Propanediol, 2-butyl-2-methyl-, isopropylaminocarbamate, 3-Isopropylcarbazicacid2- -2-methylhexylester, [2-(hydroxymethyl)-2-methylhexyl] N-(propan-2-ylamino)carbamate, 2-(hydroxymethyl)-2-methylhexyl 2-(propan-2-yl)hydrazinecarboxylate
Technical Specifications
| Molecular Formula | C12H26N2O3 |
| Molecular Weight | 246.19434 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 70.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 246.19434 Da |
| Heavy Atoms | 17 |
| Complexity | 222.0 |
| SMILES | CCCCC(C)(CO)COC(=O)NNC(C)C |
| InChIKey | WUAAJHKTLJWUPX-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Propanediol, 2-butyl-2-methyl-, isopropylaminocarbamate
Property Insights of 1,3-Propanediol, 2-butyl-2-methyl-, isopropylaminocarbamate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-butyl-2-methyl-, isopropylaminocarbamate. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-butyl-2-methyl-, isopropylaminocarbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-butyl-2-methyl-, isopropylaminocarbamate has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Propanediol, 2-butyl-2-methyl-, isopropylaminocarbamate?
The CAS number of 1,3-Propanediol, 2-butyl-2-methyl-, isopropylaminocarbamate is 25649-04-1.
What is the molecular formula of 1,3-Propanediol, 2-butyl-2-methyl-, isopropylaminocarbamate?
The molecular formula of 1,3-Propanediol, 2-butyl-2-methyl-, isopropylaminocarbamate is C12H26N2O3.
What is the molecular weight of 1,3-Propanediol, 2-butyl-2-methyl-, isopropylaminocarbamate?
The molecular weight of 1,3-Propanediol, 2-butyl-2-methyl-, isopropylaminocarbamate is 246.19434 g/mol.
Where can I buy 1,3-Propanediol, 2-butyl-2-methyl-, isopropylaminocarbamate?
You can request a quote for 1,3-Propanediol, 2-butyl-2-methyl-, isopropylaminocarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Propanediol, 2-butyl-2-methyl-, isopropylaminocarbamate?
Yes, CoreyChem provides custom synthesis services for 1,3-Propanediol, 2-butyl-2-methyl-, isopropylaminocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.