1,1-Dimethyl-4-phenylpiperazinium Iodide

• CAS: 54-77-3
• Catalog Number: ACM54773
• Category: Other Products
• Molecular Weight: 318.202g/mol
• Molecular Formula: C12H19IN2
• Synonyms: DMPP iodide; ANW-32189; CHEMBL47814; SMR000058572; KS-000012Q8; C-45761; AX8052430; 1,1-dimethyl-4-phenylpiperazine, iodide; MLS000069397; NC00315
• IUPAC Name: 1,1-dimethyl-4-phenylpiperazin-1-ium;iodide
• Canonical SMILES: C[N+]1(CCN(CC1)C2=CC=CC=C2)C.[I-]
• InChI: InChI=1S/C12H19N2.HI/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12;/h3-7H,8-11H2,1-2H3;1H/q+1;/p-1
• InChI Key: XFZJGFIKQCCLGK-UHFFFAOYSA-M
• Storage: −20°C
• Complexity: 173
• Covalently-Bonded Unit Count: 2
• EC Number: 200-213-0
• Exact Mass: 318.059g/mol
• H-Bond Acceptor: 2
• Heavy Atom Count: 15
• Monoisotopic Mass: 318.059g/mol
• NSC Number: 89754
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 3.2A^2
• UNII: X95H7DRX99