Ethanimidamide, 2-chloro-N,N-dimethyl-

HCID 426331

Notes Reactions

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Basic information

CAS: 88670-14-8
Standard SMILES: CN(C)C(=N)CCl
InChIKey: LPOKLWGKICKFMY-UHFFFAOYSA-N
Molecular formula: C4H9ClN2
Average molar mass: 120.58 g/mol
Monoisotopic mass: 120.045426

Names & identifiers

Preferred name: Ethanimidamide, 2-chloro-N,N-dimethyl-
IUPAC: 2-chloro-N,N-dimethylethanimidamide

Names & synonyms

88670-14-8Ethanimidamide, 2-chloro-N,N-dimethyl-N,N-dimethylchloroacetamidineSCHEMBL10383795Chloro-N,N-dimethylethanimidamideDTXSID80330079LPOKLWGKICKFMY-UHFFFAOYSA-NAKOS006381951

Database identifiers

CAS: 88670-14-8
PubChem CID: 426331
DTXSID: DTXSID80330079

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 27.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 70.1

Related reactions

2 records

New reaction record

HRID 665504As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1073814As reactantuspto-grants-1990_11

Compound notes

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