N-(Chloromethylidene)-N-methylmethanaminium

HCID 77312

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 44205-36-9
Standard SMILES: C[N+](C)=CCl
InChIKey: RXFZQWIYCJKAMJ-UHFFFAOYSA-N
Molecular formula: C3H7ClN+
Average molar mass: 92.55 g/mol
Monoisotopic mass: 92.02615332

Names & identifiers

Preferred name: N-(Chloromethylidene)-N-methylmethanaminium
IUPAC: chloromethylidene(dimethyl)azanium

Names & synonyms

n-(chloromethylidene)-n-methylmethanaminium(Chloromethylene)dimethyliminiumDimethyl(chloromethylene)aminiumCD13AP8MAW44205-36-91-Chloro-2-methyl-2-azonia-1-propeneJ415.395BMethanaminium, N-(chloromethylene)-N-methyl-UNII-CD13AP8MAWDTXSID8045016RefChem:162330DTXCID6025016

Show more names

SCHEMBL901433CHEMBL3306347Chloro-N,N-dimethylmethaniminiumSCHEMBL10634015RXFZQWIYCJKAMJ-UHFFFAOYSA-NQ27275404

Database identifiers

CAS: 44205-36-9
PubChem CID: 77312
DTXSID: DTXSID8045016
ChEMBL: CHEMBL3306347
UNII: CD13AP8MAW
Nikkaji: J3.078.217H、J415.395B

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: 1
Complexity: 44.9

Related reactions

14 records

New reaction record

HRID 96180As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 169161As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 185258As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 190789As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 214461As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 338278As reactantuspto-grants-2014_11

HRID 803843As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 804492As reactantTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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