tert-butyl (3S)-hexahydropyridazine-3-carboxylate

Base Information

• Chemical Name: tert-butyl (3S)-hexahydropyridazine-3-carboxylate
• CAS No.: 104069-74-1
• Molecular Formula: C9H18N2O2
• Molecular Weight: 186
• DSSTox Substance ID: DTXSID70550562
• Wikidata: Q72482038
• Mol file: 104069-74-1.mol

Synonyms:104069-74-1;tert-butyl (3S)-hexahydropyridazine-3-carboxylate;tert-butyl (3S)-diazinane-3-carboxylate;(S)-tert-butyl piperazine-3-carboxylate;AC-4299;DTXSID70550562;AKOS025402072

Chemical Property of tert-butyl (3S)-hexahydropyridazine-3-carboxylate

Chemical Property:

• Vapor Pressure: 0.0391mmHg at 25°C
• Boiling Point: 239.9°C at 760 mmHg
• Flash Point: 99℃
• PSA: 50.36000
• Density: 1.002g/cm³
• LogP: 1.24230
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 186.136827821
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

99.3% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C1CCCNN1
• Isomeric SMILES: CC(C)(C)OC(=O)[C@@H]1CCCNN1