2,6-dimethylpiperidine-1-carboximidamide; sulfuric acid

• ChemBase ID: 251877
• Molecular Formular: C8H19N3O4S
• Molecular Mass: 253.31916
• Monoisotopic Mass: 253.1096271
• SMILES: S(=O)(=O)(O)O.N1(C(=N)N)C(CCCC1C)C
• Canonical SMILES: OS(=O)(=O)O.CC1CCCC(N1C(=N)N)C
• InChI: InChI=1S/C8H17N3.H2O4S/c1-6-4-3-5-7(2)11(6)8(9)10;1-5(2,3)4/h6-7H,3-5H2,1-2H3,(H3,9,10);(H2,1,2,3,4)
• InChIKey: AKNUWYXIEBOIHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethylpiperidine-1-carboximidamide; sulfuric acid
• IUPAC Traditional name: 2,6-dimethylpiperidine-1-carboximidamide; sulfuric acid
• Synonyms: sulfuric acid compound with 2,6-dimethylpiperidine-1-carboximidamide (1:1)

Database IDs

• MDL Number: MFCD07838306
• PubChem SID: 164307787
• PubChem CID: 16276559

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.4291929
• LogD (pH = 7.4): -1.4288412
• Log P: 0.9862626
• Molar Refractivity: 56.9077 cm^3
• Polarizability: 17.73324 Å^3
• Polar Surface Area: 53.11 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.07

Product Information

• Purity: 95%
• Salt Data: H2SO4