Methylcyanamide

HCID 119415

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 4674-68-4
Standard SMILES: CNC#N
InChIKey: MCLITRXWHZUNCQ-UHFFFAOYSA-N
Molecular formula: C2H4N2
Average molar mass: 56.07 g/mol
Monoisotopic mass: 56.03744813

Names & identifiers

Preferred name: Methylcyanamide
IUPAC: methylcyanamide

Names & synonyms

MethylcyanamideDTXSID801004677RefChem:1089676DTXCID701431574cyano(methyl)amine4674-68-4n-cyanomethylamineN-methylcyanamidemethylcyanamidmethyl cyanamideSCHEMBL84688SCHEMBL3754923

Show more names

SCHEMBL4018840SCHEMBL11439446MCLITRXWHZUNCQ-UHFFFAOYSA-NAKOS011772988EN300-170566

Database identifiers

CAS: 4674-68-4、84406-63-3
PubChem CID: 119415
DTXSID: DTXSID801004677
EC Number: 188-433-2
Nikkaji: J446.008A

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 35.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 4
Formal charge: 0
Complexity: 39.2

Experimental & physicochemical properties

SpringerMaterials PropertiesHindering potential

Related reactions

11 records

New reaction record

HRID 27195As reactantuspto-grants-1980_09

HRID 161405As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 496303As reactantuspto-grants-2005_09

HRID 1154287As reactantuspto-grants-1984_12

HRID 1283745As reactantuspto-grants-1976_08

HRID 1561860As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1650769As reactantuspto-grants-1990_05

HRID 1764193As reactantuspto-grants-1978_09

Compound notes

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