1-Butanol, 3,3-dimethyl-, carbamate
TL;DR: 1-Butanol, 3,3-dimethyl-, carbamate (CAS 3124-38-7) is a chemical compound with molecular formula C7H15NO2 and molecular weight 145.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethylbutyl carbamate
Also Known As: 3,3-dimethylbutyl carbamate, 3,3-Dimethylbutanol carbamate, 3,3-Dimethyl-1-butanol carbamate, Carbamic acid, 3,3-dimethylbutyl ester, 1-BUTANOL, 3,3-DIMETHYL-, CARBAMATE
| Molecular Formula | C7H15NO2 |
|---|---|
| Molecular Weight | 145.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 145.11028 |
| Heavy Atoms | 10 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 3124-38-7 |
|---|---|
| SMILES | CC(C)(C)CCOC(=O)N |
| InChIKey | DOBPAXBDQAYQMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butanol, 3,3-dimethyl-, carbamate (CAS 3124-38-7), with molecular formula C7H15NO2 and molecular weight 145.11 g/mol. IUPAC: 3,3-dimethylbutyl carbamate.
Chemical Property Profile of 1-Butanol, 3,3-dimethyl-, carbamate
Property Insights of 1-Butanol, 3,3-dimethyl-, carbamate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butanol, 3,3-dimethyl-, carbamate. With a topological polar surface area (TPSA) of 52.3 Ų, 1-Butanol, 3,3-dimethyl-, carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanol, 3,3-dimethyl-, carbamate 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 1-Butanol, 3,3-dimethyl-, carbamate?
The CAS number of 1-Butanol, 3,3-dimethyl-, carbamate is 3124-38-7.
What is the molecular formula of 1-Butanol, 3,3-dimethyl-, carbamate?
The molecular formula of 1-Butanol, 3,3-dimethyl-, carbamate is C7H15NO2.
What is the molecular weight of 1-Butanol, 3,3-dimethyl-, carbamate?
The molecular weight of 1-Butanol, 3,3-dimethyl-, carbamate is 145.11 g/mol.
Where can I buy 1-Butanol, 3,3-dimethyl-, carbamate?
You can request a quote for 1-Butanol, 3,3-dimethyl-, carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanol, 3,3-dimethyl-, carbamate?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanol, 3,3-dimethyl-, carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.