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

Base Information

• Chemical Name: (S)-3-amino-1-methylazepan-2-one
• CAS No.: 209983-96-0
• Molecular Formula: C7H14N2O
• Molecular Weight: 142.2
• Hs Code.: 2933790090
• European Community (EC) Number: 676-209-1
• DSSTox Substance ID: DTXSID50554068
• Wikidata: Q72437554
• Mol file: 209983-96-0.mol

Synonyms:209983-96-0;(S)-3-amino-1-methylazepan-2-one;(S)-3-Amino-1-methyl-azepan-2-one;L-alpha-Amino-omega-methyl-1-caprolactam;(3S)-3-amino-1-methylazepan-2-one;(3S)-3-amino-1-methyl-azepan-2-one;SCHEMBL1189733;2H-Azepin-2-one, 3-aminohexahydro-1-methyl-, (3S)-;DTXSID50554068;GSUTYTQBQFQORF-LURJTMIESA-N;MFCD01861210;(3S)-3-amino-1-methyl-2-azepanone;AKOS006345953;(3S)-3-azanyl-1-methyl-azepan-2-one;AS-38358;l-alpha-amino-epsilon-n-methyl-caprolactam;CS-0172444;A13067;EN300-7417334;(3S)-3-amino-1-methylhexahydro-2H-azepin-2-one;(S)-3-amino-1-methyl-azepan-2-one, AldrichCPR;A815069;Q-103177

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

Chemical Property:

• Vapor Pressure: 0.00566mmHg at 25°C
• Refractive Index: 1.48
• Boiling Point: 273.6 °C at 760 mmHg
• PKA: 8.81±0.20(Predicted)
• Flash Point: 119.3 °C
• PSA: 46.33000
• Density: 1.02 g/cm³
• LogP: 0.59420
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 142.110613074
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

98%min ^*data from raw suppliers

(S)-3-Amino-1-methylazepan-2-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCCCC(C1=O)N
• Isomeric SMILES: CN1CCCC[C@@H](C1=O)N