N-phenyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
TL;DR: N-phenyl-3,4,5,6-tetrahydro-2H-azepin-7-amine (CAS 4903-40-6) is a chemical compound with molecular formula C12H16N2 and molecular weight 188.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
Also Known As: IFLab1_000249, azaperhydroepin-2-ylidenephenylazamethane, IDI1_008468, N-phenyl-3,4,5,6-tetrahydro-2H-azepin-7-amine, 2-(phenylamino)-3,4,5,6-tetrahydro-2H-azepine
| Molecular Formula | C12H16N2 |
|---|---|
| Molecular Weight | 188.13 g/mol |
| LogP | 3.071 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.13135 |
| Heavy Atoms | 14 |
| Complexity | 303.35757 |
Chemical Identifiers
| CAS Number | 4903-40-6 |
|---|---|
| SMILES | C1CCC(=NCC1)NC2=CC=CC=C2 |
Product Overview
N-phenyl-3,4,5,6-tetrahydro-2H-azepin-7-amine (CAS 4903-40-6), with molecular formula C12H16N2 and molecular weight 188.13 g/mol. IUPAC: N-phenyl-3,4,5,6-tetrahydro-2H-azepin-7-amine.
Chemical Property Profile of N-phenyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
Property Insights of N-phenyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
The XLogP value of 3.071 indicates that N-phenyl-3,4,5,6-tetrahydro-2H-azepin-7-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.39 Ų, N-phenyl-3,4,5,6-tetrahydro-2H-azepin-7-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-phenyl-3,4,5,6-tetrahydro-2H-azepin-7-amine 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-phenyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The CAS number of N-phenyl-3,4,5,6-tetrahydro-2H-azepin-7-amine is 4903-40-6.
What is the molecular formula of N-phenyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The molecular formula of N-phenyl-3,4,5,6-tetrahydro-2H-azepin-7-amine is C12H16N2.
What is the molecular weight of N-phenyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The molecular weight of N-phenyl-3,4,5,6-tetrahydro-2H-azepin-7-amine is 188.13 g/mol.
Where can I buy N-phenyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
You can request a quote for N-phenyl-3,4,5,6-tetrahydro-2H-azepin-7-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-phenyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
Yes, KEHONG BIO provides custom synthesis services for N-phenyl-3,4,5,6-tetrahydro-2H-azepin-7-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.