7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1)
TL;DR: 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1) (CAS 56071-30-8) is a chemical compound with molecular formula C12H18ClNO and molecular weight 227.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)azanium chloride
Also Known As: 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine hydrochloride, 1-BENZOXEPIN-5-AMINE, 2,3,4,5-TETRAHYDRO-7,8-DIMETHYL-, HYDROCHLORIDE, (7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)azanium chloride, 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1), RefChem:1074276
| Molecular Formula | C12H18ClNO |
|---|---|
| Molecular Weight | 227.11 g/mol |
| LogP | -1.24 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.1077 |
| Heavy Atoms | 15 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 56071-30-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)OCCCC2[NH3+].[Cl-] |
| InChIKey | VZFKCRCRMYTXRK-UHFFFAOYSA-N |
Product Overview
7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1) (CAS 56071-30-8), with molecular formula C12H18ClNO and molecular weight 227.11 g/mol. IUPAC: (7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)azanium chloride.
Chemical Property Profile of 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1)
Property Insights of 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1)
The XLogP value of -1.24 indicates that 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 36.9 Ų, 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1) 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 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1)?
The CAS number of 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1) is 56071-30-8.
What is the molecular formula of 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1)?
The molecular formula of 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1) is C12H18ClNO.
What is the molecular weight of 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1)?
The molecular weight of 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1) is 227.11 g/mol.
Where can I buy 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1)?
You can request a quote for 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.