ethyl 2-(3-chloropropanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Base Information

• Chemical Name: ethyl 2-(3-chloropropanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
• CAS No.: 314244-45-6
• Molecular Formula: C15H20 Cl N O3 S
• Molecular Weight: 329.84
• DSSTox Substance ID: DTXSID00392114
• Wikidata: Q82190068
• Mol file: 314244-45-6.mol

Synonyms:314244-45-6;ethyl 2-(3-chloropropanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate;ethyl 2-(3-chloropropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate;F0745-0080;4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLIC ACID, 2-[(3-CHLORO-1-OXOPROPYL)AMINO]-5,6,7,8-TETRAHYDRO-, ETHYL ESTER;DTXSID00392114;STL305677;AKOS000805675;UPCMLD0ENAT0513-5697:001;EN300-240198;Z56882380;ETHYL 2-(3-CHLOROPROPANAMIDO)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE;4H-Cyclohepta[b]thiophene-3-carboxylicacid,2-[(3-chloro-1-oxopropyl)amino]-5,6,7,8-tetrahydro-,ethyl ester;ethyl 2-[(3-chloropropanoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Chemical Property of ethyl 2-(3-chloropropanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Chemical Property:

• Vapor Pressure: 7.05E-12mmHg at 25°C
• Refractive Index: 1.58
• Boiling Point: 543.6°C at 760 mmHg
• PKA: 13.40±0.20(Predicted)
• Flash Point: 282.6°C
• PSA: 83.64000
• Density: 1.274g/cm³
• LogP: 3.83410
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 329.0852424
• Heavy Atom Count: 21
• Complexity: 380

Purity/Quality:

NLT 98% ^*data from raw suppliers

Ethyl 2-(3-chloropropanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCCl