chempirical

Methylcarbamoyl chloride

C2H4ClNOCAS 6452-47-793.51 g/mol

Open in Covalent MOL file
NHOCl

Properties

Molecular formula
C2H4ClNO
Molar mass
93.51 g/mol
Exact mass
92.9981 Da
logP
0.77Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
6452-47-7
SMILES
CN=C(O)Cl
InChIKey
GRRYSIXDUIAUGY-UHFFFAOYSA-N
InChI
InChI=1S/C2H4ClNO/c1-4-2(3)5/h1H3,(H,4,5)

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Names and synonyms

8 names
  • Carbamic chloride, N-methyl-
  • Carbamoyl chloride, methyl-
  • Carbamic chloride, methyl-
  • N-Methylcarbamic chloride
  • N-Methylcarbamoyl chloride
  • NSC 133003
  • Methylcarbamic chloride
  • Methylaminoformyl chloride

Work with Methylcarbamoyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Methylacetamide79-16-338 % similar 2-Chloro-N-methylacetamide96-30-038 % similar N-Methylpropionamide1187-58-233 % similar N,2,2-Trimethylpropanamide6830-83-733 % similar Dimethylurea96-31-133 % similar N-Methyltrifluoroacetamide815-06-532 % similar N-[(Methylamino)carbonyl]acetamide623-59-631 % similar Akardite II13114-72-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Chloroacetamide79-07-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook