chempirical

Methyl 2-(2-chloro-1-iminoethyl)hydrazinecarboxylate

C4H8ClN3O2CAS 155742-64-6165.58 g/mol

Open in Covalent MOL file
OONHNClNH2
Alkyl halideAmidineCarbamateHydrazone

Properties

Molecular formula
C4H8ClN3O2
Molar mass
165.58 g/mol
Exact mass
165.0305 Da
logP
-0.15Crippen estimate
Polar surface area
76.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2
Double bonds
ZE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
155742-64-6
SMILES
COC(=O)N/N=C(/CCl)\N
InChIKey
JAIGTTPBXVVFPN-UHFFFAOYSA-N
InChI
InChI=1S/C4H8ClN3O2/c1-10-4(9)8-7-3(6)2-5/h2H2,1H3,(H2,6,7)(H,8,9)

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Names and synonyms

1 names
  • N-Methylcarbonyl-2-chloroacetamidrazone

Work with Methyl 2-(2-chloro-1-iminoethyl)hydrazinecarboxylate

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

Methyl chloroacetate96-34-438 % similar Methyl 4-chloroacetoacetate32807-28-633 % similar Methyl 4-chloro-3-methoxycrotonate85153-60-233 % similar

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

Elsewhere

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