(3S)-3-azaniumylhex-5-ynoate

Base Information

• Chemical Name: (3S)-3-azaniumylhex-5-ynoate
• CAS No.: 270596-46-8
• Molecular Formula: C6H10ClNO2
• Molecular Weight: 163.6
• Mol file: 270596-46-8.mol

Synonyms:

Chemical Property of (3S)-3-azaniumylhex-5-ynoate

Chemical Property:

• Vapor Pressure: 0.00149mmHg at 25°C
• Boiling Point: 274.4 °C at 760 mmHg
• PKA: 3.66±0.10(Predicted)
• Flash Point: 119.8 °C
• PSA: 63.32000
• Density: 1.155±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 1.31400
• Sensitive.: Air Sensitive
• Water Solubility.: Soluble in water (90 g/L at 25°C).
• XLogP3: -2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 127.063328530
• Heavy Atom Count: 9
• Complexity: 139

Purity/Quality:

HPLC>98% ^*data from raw suppliers

(3S)-3-Amino-5-hexynoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCC(CC(=O)[O-])[NH3+]
• Isomeric SMILES: C#CC[C@@H](CC(=O)[O-])[NH3+]
• Uses: (S)-3-Amino-5-hexynoic acid hydrochloride is used for labeling and detection purpose.