Chloro(dimethylamino)-N,N-dimethylmethaniminium

HCID 4455752

Notes Reactions

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Basic information

CAS: 41048-59-3
Standard SMILES: CN(C)C(Cl)=[N+](C)C
InChIKey: QZFWNEASXBNLCD-UHFFFAOYSA-N
Molecular formula: C5H12ClN2+
Average molar mass: 135.61 g/mol
Monoisotopic mass: 135.06835248

Names & identifiers

Preferred name: Chloro(dimethylamino)-N,N-dimethylmethaniminium
IUPAC: [chloro(dimethylamino)methylidene]-dimethylazanium

Names & synonyms

[chloro(dimethylamino)methylene]-dimethyl-ammonium41048-59-3SCHEMBL2902826DTXSID60915303[Bis(dimethylamino)methylidene]chloraniumChloro(dimethylamino)-N,N-dimethylmethaniminium

Database identifiers

CAS: 41048-59-3
PubChem CID: 4455752
DTXSID: DTXSID60915303
Nikkaji: J1.289.974B、J1.310.781E

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 6.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 1
Complexity: 90

Related reactions

10 records

New reaction record

HRID 92414As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 214192As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 300070As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 310306As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 685352As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 687573As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 804214As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1134500As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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