chempirical

O-[(2E)-3-Chloro-2-propen-1-yl]hydroxylamine

C3H6ClNOCAS 87851-77-2107.54 g/mol

Open in Covalent MOL file
H2NOCl
AlkenePrimary amineVinyl halide

Properties

Molecular formula
C3H6ClNO
Molar mass
107.54 g/mol
Exact mass
107.0138 Da
logP
0.63Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2
Double bonds
EE/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
87851-77-2
SMILES
NOC/C=C/Cl
InChIKey
XGNHRRHYGMFKAQ-OWOJBTEDSA-N
InChI
InChI=1S/C3H6ClNO/c4-2-1-3-6-5/h1-2H,3,5H2/b2-1+

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Hydroxylamine, O-[(2E)-3-chloro-2-propen-1-yl]-
  • Hydroxylamine, O-(3-chloro-2-propenyl)-, (E)-
  • Hydroxylamine, O-[(2E)-3-chloro-2-propenyl]-
  • (3-trans-Chloroallyl)oxyamine
  • (E)-O-(3-Chloro-2-propenyl)hydroxylamine
  • O-((2E)-3-Chloro-2-propen-1-yl)hydroxylamine

Work with O-[(2E)-3-Chloro-2-propen-1-yl]hydroxylamine

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

cis-1,3-Dichloropropene10061-01-536 % similar trans-1,3-Dichloropropene10061-02-636 % similar 1,3-Dichloropropene542-75-636 % similar O-Allylhydroxylamine hydrochloride38945-21-035 % similar

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

Same formula

Azetidin-3-one Hydrochloride17557-84-5 3-Chloropropanamide5875-24-1 Dimethylcarbamoyl chloride79-44-7 2-Chloro-N-methylacetamide96-30-0

Elsewhere

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