4-Dimethylamino-1-neopentylpyridinium chloride

• CAS: 109911-77-5
• Catalog Number: ACM109911775
• Category: Other Products
• Molecular Weight: 228.76
• Molecular Formula: C₁₂H₂₁ClN₂
• Synonyms: 109911-77-5; CTK4A6701; KS-000012GC; chloride; D1850; TR-002100; MFCD00060050; DTXSID70570205; 4-Dimethylamino-1-neopentylpyridiniumchloride; 4-(dimethylamino)-1-(2,2-dimethylpropyl)pyridin-1-ium chloride
• IUPAC Name: 1-(2,2-dimethylpropyl)-N,N-dimethylpyridin-1-ium-4-amine;chloride
• SMILES: CC(C)(C)C[N+]1=CC=C(C=C1)N(C)C.[Cl-]
• InChI: InChI=1S/C12H21N2.ClH/c1-12(2,3)10-14-8-6-11(7-9-14)13(4)5;/h6-9H,10H2,1-5H3;1H/q+1;/p-1
• InChI Key: OTCQGJASYOVVCB-UHFFFAOYSA-M
• Complexity: 162
• Covalently-Bonded Unit Count: 2
• Exact Mass: 228.139g/mol
• H-Bond Acceptor: 2
• Heavy Atom Count: 15
• Monoisotopic Mass: 228.139g/mol
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 7.1A^2