trimethyl[(2R)-2-phenylpropyl]azanium iodide

• ChemBase ID: 183122
• Molecular Formular: C12H20IN
• Molecular Mass: 305.19837
• Monoisotopic Mass: 305.06404765
• SMILES: [N+](C[C@@H](c1ccccc1)C)(C)(C)C.[I-]
• Canonical SMILES: C[C@H](c1ccccc1)C[N+](C)(C)C.[I-]
• InChI: InChI=1S/C12H20N.HI/c1-11(10-13(2,3)4)12-8-6-5-7-9-12;/h5-9,11H,10H2,1-4H3;1H/q+1;/p-1/t11-;/m0./s1
• InChIKey: ZREHXCRFIOLDJR-MERQFXBCSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl[(2R)-2-phenylpropyl]azanium iodide
• IUPAC Traditional name: trimethyl[(2R)-2-phenylpropyl]azanium iodide

Database IDs

• PubChem SID: 164239032
• PubChem CID: 52993285

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.59406
• LogD (pH = 7.4): -1.59406
• Log P: -1.59406
• Molar Refractivity: 69.7409 cm^3
• Polarizability: 22.822155 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: I-
• Classification: Derivatives & analogs of Natural Compounds