(Z)-N,N'-dimethyl(undecylsulfanyl)methanimidamide hydrobromide

• ChemBase ID: 259204
• Molecular Formular: C14H31BrN2S
• Molecular Mass: 339.37834
• Monoisotopic Mass: 338.139132
• SMILES: C(=N\C)(/NC)\SCCCCCCCCCCC.Br
• Canonical SMILES: CCCCCCCCCCCS/C(=N\C)/NC.Br
• InChI: InChI=1S/C14H30N2S.BrH/c1-4-5-6-7-8-9-10-11-12-13-17-14(15-2)16-3;/h4-13H2,1-3H3,(H,15,16);1H
• InChIKey: NUQFIOFNPKFLOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N,N'-dimethyl(undecylsulfanyl)methanimidamide hydrobromide
• IUPAC Traditional name: (Z)-N,N'-dimethylundecylsulfanylmethanimidamide hydrobromide
• Synonyms: N',N-dimethyl(undecylsulfanyl)methanimidamide hydrobromide

Database IDs

• MDL Number: MFCD11857986
• PubChem SID: 164315114
• PubChem CID: 42962513

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.834415
• LogD (pH = 7.4): 3.022905
• Log P: 5.2468476
• Molar Refractivity: 80.3655 cm^3
• Polarizability: 31.486681 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 56 - 58°C
• Hydrophobicity(logP): 4.827

Product Information

• Purity: 95%