L-Cysteine, N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-

Base Information

• Chemical Name: L-Cysteine, N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-
• CAS No.: 105099-08-9
• Molecular Formula: C₉H₁₆N₂O₂S
• Molecular Weight: 216.304
• DSSTox Substance ID: DTXSID50146942
• Mol file: 105099-08-9.mol

Synonyms:BRN 5520873;105099-08-9;L-Cysteine, N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-;N-(3,4,5,6-Tetrahydro-2H-azepin-7-yl)-L-cysteine;DTXSID50146942;LS-59045

Chemical Property of L-Cysteine, N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-

Chemical Property:

• Vapor Pressure: 1.09E-08mmHg at 25°C
• Boiling Point: 432.5°Cat760mmHg
• Flash Point: 215.4°C
• PSA: 100.49000
• Density: 1.33g/cm³
• LogP: 0.75800
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 216.09324893
• Heavy Atom Count: 14
• Complexity: 231

Purity/Quality:

N-(3,4,5,6-TETRAHYDRO-2H-AZEPIN-7-YL)-L-CYSTEINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=NCC1)NC(CS)C(=O)O
• Isomeric SMILES: C1CCC(=NCC1)N[C@@H](CS)C(=O)O

Technology Process of L-Cysteine, N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-

There total 1 articles about L-Cysteine, N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

O-methylcaprolactim (2525-16-8) + L-Cysteine (52-90-4) → (R)-2-[Azepan-(2E)-ylideneamino]-3-mercapto-propionic acid (105099-08-9)

Guidance literature:

In methanol; at 20 - 25 ℃; for 10h;

DOI:10.1007/BF00757957

upstream raw materials:

O-methylcaprolactim

L-Cysteine