Carbamimidic chloride

HCID 428293

Notes Reactions

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Basic information

CAS: 6869-14-3
Standard SMILES: N=C(N)Cl
InChIKey: RYTLGWCJESCDMY-UHFFFAOYSA-N
Molecular formula: CH3ClN2
Average molar mass: 78.5 g/mol
Monoisotopic mass: 77.9984758

Names & identifiers

Preferred name: Carbamimidic chloride
IUPAC: carbamimidoyl chloride

Names & synonyms

Carbamimidic chloride6869-14-3RefChem:332766chloroformamidinecarbamimidoyl chlorideAminomethanecarbonimidoyl chlorideSCHEMBL62149RYTLGWCJESCDMY-UHFFFAOYSA-NDTXSID001314664AKOS006340257NS00051945EN300-199558

Database identifiers

CAS: 6869-14-3
PubChem CID: 428293
DTXSID: DTXSID001314664
Nikkaji: J281.614H

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 49.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 4
Formal charge: 0
Complexity: 33

Related reactions

2 records

New reaction record

HRID 701546As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1231329As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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