n-Butyl carbamate
TL;DR: n-Butyl carbamate (CAS 592-35-8) is a chemical compound with molecular formula C5H11NO2 and molecular weight 117.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl carbamate
Also Known As: Butyl carbamate, N-BUTYL CARBAMATE, Carbamic acid, butyl ester, N-butylcarbamate, Butylurethan
| Molecular Formula | C5H11NO2 |
|---|---|
| Molecular Weight | 117.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 117.07898 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
| Melting Point | 53 °C |
| Boiling Point | 204 °C (WITH DECOMP) |
| Solubility | Very soluble in ethanol, slightly soluble in chloroform. |
| Vapor Pressure | 0.15 [mmHg] |
Chemical Identifiers
| CAS Number | 592-35-8 |
|---|---|
| SMILES | CCCCOC(=O)N |
| InChIKey | SKKTUOZKZKCGTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-Butyl carbamate (CAS 592-35-8), with molecular formula C5H11NO2 and molecular weight 117.08 g/mol. IUPAC: butyl carbamate.
Chemical Property Profile of n-Butyl carbamate
Property Insights of n-Butyl carbamate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Butyl carbamate. With a topological polar surface area (TPSA) of 52.3 Ų, n-Butyl carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Butyl 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 n-Butyl carbamate?
The CAS number of n-Butyl carbamate is 592-35-8.
What is the molecular formula of n-Butyl carbamate?
The molecular formula of n-Butyl carbamate is C5H11NO2.
What is the molecular weight of n-Butyl carbamate?
The molecular weight of n-Butyl carbamate is 117.08 g/mol.
Where can I buy n-Butyl carbamate?
You can request a quote for n-Butyl carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Butyl carbamate?
Yes, KEHONG BIO provides custom synthesis services for n-Butyl carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.