(S)-3-amino-1-ethylazepan-2-one

Base Information

• Chemical Name: (S)-3-amino-1-ethylazepan-2-one
• CAS No.: 206434-45-9
• Molecular Formula: C8H16N2O
• Molecular Weight: 156.23
• Hs Code.: 2933998090
• European Community (EC) Number: 672-204-3
• DSSTox Substance ID: DTXSID50373357
• Wikidata: Q72436778
• Mol file: 206434-45-9.mol

Synonyms:206434-45-9;(S)-3-amino-1-ethylazepan-2-one;(S)-3-Amino-1-ethyl-2-azepanone;(3S)-3-amino-1-ethylazepan-2-one;(S)-alpha-Amino-epsilon-N-ethyl-caprolactam;(3S)-3-amino-1-ethyl-azepan-2-one;MFCD01861209;(S)-alpha-Amino-epsilon-N-ethylcaprolactam;SCHEMBL1527371;DTXSID50373357;AKOS006345952;AC-6579;AS-38349;CS-0172242;(S)-3-amino-1-ethylazepan-2-one, AldrichCPR;Q-103173

Chemical Property of (S)-3-amino-1-ethylazepan-2-one

Chemical Property:

• Vapor Pressure: 0.00235mmHg at 25°C
• Refractive Index: 1.475
• Boiling Point: 288.3 °C at 760 mmHg
• PKA: 8.82±0.20(Predicted)
• Flash Point: 128.2 °C
• PSA: 46.33000
• Density: 0.995 g/cm³
• LogP: 0.98430
• Storage Temp.: 2-8°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 156.126263138
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

(S)-3-Amino-1-ethylazepan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CCCCC(C1=O)N
• Isomeric SMILES: CCN1CCCC[C@@H](C1=O)N