2-Hydroxyethyl hydrogen (3-methylbutyl)carbonimidate
TL;DR: 2-Hydroxyethyl hydrogen (3-methylbutyl)carbonimidate (CAS 104139-53-9) is a chemical compound with molecular formula C8H17NO3 and molecular weight 175.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxyethyl N-(3-methylbutyl)carbamate
Also Known As: 2-hydroxyethyl isopentylcarbamate, 2-hydroxyethyl(3-methylbutyl)carbamate, Carbamic acid, 2-hydroxyethyl ester, 2-hydroxyethyl N-(3-methylbutyl)carbamate, 2-Hydroxyethyl hydrogen (3-methylbutyl)carbonimidate
Technical Specifications
| Molecular Formula | C8H17NO3 |
| Molecular Weight | 175.12085 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 175.12085 Da |
| Heavy Atoms | 12 |
| Complexity | 125.0 |
| SMILES | CC(C)CCNC(=O)OCCO |
| InChIKey | SXAJUWMKAFUQJU-UHFFFAOYSA-N |
Chemical Property Profile of 2-Hydroxyethyl hydrogen (3-methylbutyl)carbonimidate
Property Insights of 2-Hydroxyethyl hydrogen (3-methylbutyl)carbonimidate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxyethyl hydrogen (3-methylbutyl)carbonimidate. With a topological polar surface area (TPSA) of 58.6 Ų, 2-Hydroxyethyl hydrogen (3-methylbutyl)carbonimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxyethyl hydrogen (3-methylbutyl)carbonimidate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Hydroxyethyl hydrogen (3-methylbutyl)carbonimidate?
The CAS number of 2-Hydroxyethyl hydrogen (3-methylbutyl)carbonimidate is 104139-53-9.
What is the molecular formula of 2-Hydroxyethyl hydrogen (3-methylbutyl)carbonimidate?
The molecular formula of 2-Hydroxyethyl hydrogen (3-methylbutyl)carbonimidate is C8H17NO3.
What is the molecular weight of 2-Hydroxyethyl hydrogen (3-methylbutyl)carbonimidate?
The molecular weight of 2-Hydroxyethyl hydrogen (3-methylbutyl)carbonimidate is 175.12085 g/mol.
Where can I buy 2-Hydroxyethyl hydrogen (3-methylbutyl)carbonimidate?
You can request a quote for 2-Hydroxyethyl hydrogen (3-methylbutyl)carbonimidate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Hydroxyethyl hydrogen (3-methylbutyl)carbonimidate?
Yes, CoreyChem provides custom synthesis services for 2-Hydroxyethyl hydrogen (3-methylbutyl)carbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.