5H-Benzocyclohepten-5-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-, hydrochloride
TL;DR: 5H-Benzocyclohepten-5-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-, hydrochloride (CAS 18045-46-0) is a chemical compound with molecular formula C13H22ClN and molecular weight 227.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,7,8,9-hexahydro-1H-benzo[7]annulen-9-yl(dimethyl)azanium chloride
Also Known As: 5-Dimethylamino-6,7,8,9-tetrahydro-5H-benzocycloheptene hydrochloride, 6,7,8,9-Tetrahydro-N,N-dimethyl-5H-benzocyclohepten-5-amine hydrochloride, 5H-BENZOCYCLOHEPTEN-5-AMINE, 6,7,8,9-TETRAHYDRO-N,N-DIMETHYL-, HYDROCHLORIDE, 2,3,4,7,8,9-hexahydro-1H-benzo[7]annulen-9-yl(dimethyl)azanium chloride, RefChem:305319
| Molecular Formula | C13H22ClN |
|---|---|
| Molecular Weight | 227.14 g/mol |
| LogP | -1.28 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.14407 |
| Heavy Atoms | 15 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 18045-46-0 |
|---|---|
| SMILES | C[NH+](C)C1CCC=CC2=C1CCCC2.[Cl-] |
| InChIKey | ZUFMJVZMPFYAPX-UHFFFAOYSA-N |
Product Overview
5H-Benzocyclohepten-5-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-, hydrochloride (CAS 18045-46-0), with molecular formula C13H22ClN and molecular weight 227.14 g/mol. IUPAC: 2,3,4,7,8,9-hexahydro-1H-benzo[7]annulen-9-yl(dimethyl)azanium chloride.
Chemical Property Profile of 5H-Benzocyclohepten-5-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-, hydrochloride
Property Insights of 5H-Benzocyclohepten-5-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-, hydrochloride
The XLogP value of -1.28 indicates that 5H-Benzocyclohepten-5-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 4.4 Ų, 5H-Benzocyclohepten-5-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-Benzocyclohepten-5-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-, 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 5H-Benzocyclohepten-5-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-, hydrochloride?
The CAS number of 5H-Benzocyclohepten-5-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-, hydrochloride is 18045-46-0.
What is the molecular formula of 5H-Benzocyclohepten-5-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-, hydrochloride?
The molecular formula of 5H-Benzocyclohepten-5-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-, hydrochloride is C13H22ClN.
What is the molecular weight of 5H-Benzocyclohepten-5-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-, hydrochloride?
The molecular weight of 5H-Benzocyclohepten-5-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-, hydrochloride is 227.14 g/mol.
Where can I buy 5H-Benzocyclohepten-5-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-, hydrochloride?
You can request a quote for 5H-Benzocyclohepten-5-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-Benzocyclohepten-5-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 5H-Benzocyclohepten-5-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.