(1,5-Dimethylpyrrol-2-yl)methylazanium

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Basic information

CAS: 118799-24-9
Standard SMILES: Cc1ccc(C[NH3+])n1C
InChIKey: KMUHAJOXPNPERW-UHFFFAOYSA-O
Molecular formula: C7H13N2+
Average molar mass: 125.19 g/mol
Monoisotopic mass: 125.10787342

Names & identifiers

Preferred name: (1,5-Dimethylpyrrol-2-yl)methylazanium
IUPAC: (1,5-dimethylpyrrol-2-yl)methylazanium

Names & synonyms

(1,5-dimethylpyrrol-2-yl)methylazaniumDTXSID50922783C7H13N2+AKOS030240115(1,5-dimethylpyrrol-2-yl)methylammonium(1,5-dimethyl-1H-pyrrol-2-yl)methanaminium

Database identifiers

CAS: 118799-24-9
PubChem CID: 6933504
DTXSID: DTXSID50922783

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 32.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 1
Complexity: 92.9

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Compound notes

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