chempirical

3-Chloropropanamide

C3H6ClNOCAS 5875-24-1107.54 g/mol

Open in Covalent MOL file
NH2OCl
Alkyl halide

Properties

Molecular formula
C3H6ClNO
Molar mass
107.54 g/mol
Exact mass
107.0138 Da
Melting point
102 °C
logP
1.15Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
2

Hazards

Danger
Acute Toxic (GHS06)

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

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
5875-24-1
SMILES
N=C(O)CCCl
InChIKey
JQDXZJYAUSVHDH-UHFFFAOYSA-N
InChI
InChI=1S/C3H6ClNO/c4-2-1-3(5)6/h1-2H2,(H2,5,6)

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Names and synonyms

5 names
  • Propanamide, 3-chloro-
  • Propionamide, 3-chloro-
  • 3-Chloropropionamide
  • β-Chloropropionamide
  • NSC 401789

Work with 3-Chloropropanamide

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

Succinamide110-14-561 % similar Adipamide628-94-455 % similar Chloroacetamide79-07-252 % similar Butyramide541-35-548 % similar Malonamide108-13-445 % similar Pentanamide626-97-144 % similar Hexanamide628-02-444 % similar Succinamic acid638-32-444 % similar

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

Same formula

Azetidin-3-one Hydrochloride17557-84-5 Dimethylcarbamoyl chloride79-44-7 O-[(2E)-3-Chloro-2-propen-1-yl]hydroxylamine87851-77-2 2-Chloro-N-methylacetamide96-30-0

Elsewhere

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