9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (+-)-

Base Information

• Chemical Name: 9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (+-)-
• CAS No.: 80952-19-8
• Molecular Formula: C16H19 Br N2 O . Cl H
• Molecular Weight: 371.6998
• DSSTox Substance ID: DTXSID70230812
• Mol file: 80952-19-8.mol

Synonyms:(+-)-2-Bromo-6-propyl-9-oxaergoline hydrochloride;9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (+-)-;(6aRS,10aRS)-4,6,6a,8,9,10a-Hexahydro-5-bromo-7-propyl-7H-indolo(3,4-gh)(1,4)benzoxazine HCl;80952-19-8;C16H19BrN2O.ClH;DTXSID70230812;C16-H19-Br-N2-O.Cl-H;LS-99390

Chemical Property of 9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (+-)-

Chemical Property:

• Vapor Pressure: 1.55E-09mmHg at 25°C
• Boiling Point: 484.4°C at 760 mmHg
• Flash Point: 246.7°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 370.04475
• Heavy Atom Count: 21
• Complexity: 366

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1CCOC2C1CC3=C(NC4=CC=CC2=C34)Br.Cl
• Isomeric SMILES: CCCN1CCO[C@H]2[C@H]1CC3=C(NC4=CC=CC2=C34)Br.Cl