1H-Benzimidazol-5-amine, 4,5,6,7-tetrahydro-N-butyl-1-ethyl-, (E)-2-butenedioate (2:3)

HCID 6435547

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Basic information

CAS: 96224-07-6
Standard SMILES: CCCC[NH2+]C1CCC2=C(C1)[NH+]=C[NH+]2CC.O=C([O-])/C=C/C(=O)[O-]
InChIKey: DIJNJFMMAVRGTA-WLHGVMLRSA-O
Molecular formula: C17H28N3O4+
Average molar mass: 338.4 g/mol
Monoisotopic mass: 338.20798138

Names & identifiers

Preferred name: 1H-Benzimidazol-5-amine, 4,5,6,7-tetrahydro-N-butyl-1-ethyl-, (E)-2-butenedioate (2:3)
IUPAC: (E)-but-2-enedioate;butyl-(1-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole-1,3-diium-5-yl)azanium

Names & synonyms

1H-Benzimidazol-5-amine, 4,5,6,7-tetrahydro-N-butyl-1-ethyl-, (E)-2-butenedioate (2:3)96224-07-6RefChem:10578124,5,6,7-Tetrahydro-5-(butylamino)-1-ethylbenzimidazole fumarate (2:3)Benzimidazole, 4,5,6,7-tetrahydro-5-(butylamino)-1-ethyl-, fumarate (2:3)

Database identifiers

CAS: 96224-07-6
PubChem CID: 6435547

Properties

Computed structural properties

Topological polar surface area: 115 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 1
Complexity: 402

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