Adamantane, 1-(4-dimethylaminobutyl)-, hydrochloride
TL;DR: Adamantane, 1-(4-dimethylaminobutyl)-, hydrochloride (CAS 52582-85-1) is a chemical compound with molecular formula C16H30ClN and molecular weight 271.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-adamantyl)-N,N-dimethylbutan-1-amine;hydrochloride
Also Known As: ADAMANTANE, 1-(4-DIMETHYLAMINOBUTYL)-, HYDROCHLORIDE, Butylamine, 4-(1-adamantyl)-N,N-dimethyl-, hydrochloride, 4-(1-adamantyl)-N,N-dimethylbutan-1-amine hydrochloride, 4-(Adamantan-1-yl)-N,N-dimethylbutan-1-amine--hydrogen chloride (1/1), Tricyclo[3.3.1.13,7]decane-1-butanamine, N,N-dimethyl-, hydrochloride
| Molecular Formula | C16H30ClN |
|---|---|
| Molecular Weight | 271.21 g/mol |
| LogP | 4.36 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.20667 |
| Heavy Atoms | 18 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 52582-85-1 |
|---|---|
| SMILES | CN(C)CCCCC12CC3CC(C1)CC(C3)C2.Cl |
| InChIKey | VGRCKKUXCQQONQ-UHFFFAOYSA-N |
Product Overview
Adamantane, 1-(4-dimethylaminobutyl)-, hydrochloride (CAS 52582-85-1), with molecular formula C16H30ClN and molecular weight 271.21 g/mol. IUPAC: 4-(1-adamantyl)-N,N-dimethylbutan-1-amine;hydrochloride.
Chemical Property Profile of Adamantane, 1-(4-dimethylaminobutyl)-, hydrochloride
Property Insights of Adamantane, 1-(4-dimethylaminobutyl)-, hydrochloride
The XLogP value of 4.36 indicates that Adamantane, 1-(4-dimethylaminobutyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, Adamantane, 1-(4-dimethylaminobutyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Adamantane, 1-(4-dimethylaminobutyl)-, hydrochloride has 1 hydrogen bond donor(s) and 1 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 Adamantane, 1-(4-dimethylaminobutyl)-, hydrochloride?
The CAS number of Adamantane, 1-(4-dimethylaminobutyl)-, hydrochloride is 52582-85-1.
What is the molecular formula of Adamantane, 1-(4-dimethylaminobutyl)-, hydrochloride?
The molecular formula of Adamantane, 1-(4-dimethylaminobutyl)-, hydrochloride is C16H30ClN.
What is the molecular weight of Adamantane, 1-(4-dimethylaminobutyl)-, hydrochloride?
The molecular weight of Adamantane, 1-(4-dimethylaminobutyl)-, hydrochloride is 271.21 g/mol.
Where can I buy Adamantane, 1-(4-dimethylaminobutyl)-, hydrochloride?
You can request a quote for Adamantane, 1-(4-dimethylaminobutyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adamantane, 1-(4-dimethylaminobutyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Adamantane, 1-(4-dimethylaminobutyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.