[(2E)-3-(dimethylamino)-2-[(E)-[(dimethylamino)methylidene]amino]prop-2-en-1-ylidene]dimethylazanium perchlorate

• ChemBase ID: 256139
• Molecular Formular: C10H21ClN4O4
• Molecular Mass: 296.75114
• Monoisotopic Mass: 296.12513285
• SMILES: [Cl](=O)(=O)(=O)[O-].C(=C\N(C)C)(/N=C/N(C)C)\C=[N+](C)C
• Canonical SMILES: [O-][Cl](=O)(=O)=O.CN(/C=N/C(=C/N(C)C)/C=[N+](C)C)C
• InChI: InChI=1S/C10H21N4.ClHO4/c1-12(2)7-10(8-13(3)4)11-9-14(5)6;2-1(3,4)5/h7-9H,1-6H3;(H,2,3,4,5)/q+1;/p-1/b11-9+
• InChIKey: LOETWRXQTHIJFD-LBEJWNQZSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2E)-3-(dimethylamino)-2-[(E)-[(dimethylamino)methylidene]amino]prop-2-en-1-ylidene]dimethylazanium perchlorate
• IUPAC Traditional name: [(2E)-3-(dimethylamino)-2-[(E)-[(dimethylamino)methylidene]amino]prop-2-en-1-ylidene]dimethylazanium perchlorate
• Synonyms: N-(3-(dimethylamino)-2-{[(dimethylamino)methylene]amino}prop-2-enylidene)-N-methylmethanaminium perchlorate

Database IDs

• MDL Number: MFCD10686773
• PubChem SID: 164312049
• PubChem CID: 10803917

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -6.491954
• LogD (pH = 7.4): -5.8148437
• Log P: -4.09404
• Molar Refractivity: 73.9626 cm^3
• Polarizability: 22.921103 Å^3
• Polar Surface Area: 21.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 138 - 140°C
• Hydrophobicity(logP): 1.109

Product Information

• Purity: 95%