Carbanilic acid, 2-(sec-butylamino)ethyl ester, hydrochloride
TL;DR: Carbanilic acid, 2-(sec-butylamino)ethyl ester, hydrochloride (CAS 67195-92-0) is a chemical compound with molecular formula C13H21ClN2O2 and molecular weight 272.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride
Also Known As: 2-(sec-Butylamino)ethyl carbanilate hydrochloride, butan-2-yl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride, CARBANILIC ACID, 2-(sec-BUTYLAMINO)ETHYL ESTER, HYDROCHLORIDE, butan-2-yl-[2-(phenylcarbamoyloxy)ethyl]azanium;chloride, Ethanol, 2-[(1-methylpropyl)amino]-, phenylcarbamate (ester), monohydrochloride
| Molecular Formula | C13H21ClN2O2 |
|---|---|
| Molecular Weight | 272.13 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 54.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 272.12915 |
| Heavy Atoms | 18 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 67195-92-0 |
|---|---|
| SMILES | CCC(C)[NH2+]CCOC(=O)NC1=CC=CC=C1.[Cl-] |
| InChIKey | NFQFWGJVKBLGIF-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, 2-(sec-butylamino)ethyl ester, hydrochloride (CAS 67195-92-0), with molecular formula C13H21ClN2O2 and molecular weight 272.13 g/mol. IUPAC: butan-2-yl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride.
Chemical Property Profile of Carbanilic acid, 2-(sec-butylamino)ethyl ester, hydrochloride
Property Insights of Carbanilic acid, 2-(sec-butylamino)ethyl ester, hydrochloride
The XLogP value of -1.4 indicates that Carbanilic acid, 2-(sec-butylamino)ethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.9 Ų, Carbanilic acid, 2-(sec-butylamino)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, 2-(sec-butylamino)ethyl ester, hydrochloride 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
Frequently Asked Questions
What is the CAS number of Carbanilic acid, 2-(sec-butylamino)ethyl ester, hydrochloride?
The CAS number of Carbanilic acid, 2-(sec-butylamino)ethyl ester, hydrochloride is 67195-92-0.
What is the molecular formula of Carbanilic acid, 2-(sec-butylamino)ethyl ester, hydrochloride?
The molecular formula of Carbanilic acid, 2-(sec-butylamino)ethyl ester, hydrochloride is C13H21ClN2O2.
What is the molecular weight of Carbanilic acid, 2-(sec-butylamino)ethyl ester, hydrochloride?
The molecular weight of Carbanilic acid, 2-(sec-butylamino)ethyl ester, hydrochloride is 272.13 g/mol.
Where can I buy Carbanilic acid, 2-(sec-butylamino)ethyl ester, hydrochloride?
You can request a quote for Carbanilic acid, 2-(sec-butylamino)ethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, 2-(sec-butylamino)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, 2-(sec-butylamino)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.