chempirical

1-Propylimidazole

C6H10N2CAS 35203-44-2110.16 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C6H10N2
Molar mass
110.16 g/mol
Exact mass
110.0844 Da
Boiling point
89–90 °C (at 18 Torr)
logP
1.29Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
35203-44-2
SMILES
CCCn1ccnc1
InChIKey
IYVYLVCVXXCYRI-UHFFFAOYSA-N
InChI
InChI=1S/C6H10N2/c1-2-4-8-5-3-7-6-8/h3,5-6H,2,4H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • 1H-Imidazole, 1-propyl-
  • Imidazole, 1-propyl-
  • 1-Propyl-1H-imidazole
  • N-Propylimidazole

Work with 1-Propylimidazole

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

Butylimidazole4316-42-176 % similar 1-Ethylimidazole7098-07-960 % similar Imidazole-1-ethanol1615-14-156 % similar 1H-Imidazole-1-propanamine5036-48-652 % similar 1-Allylimidazole31410-01-243 % similar 1-Benzylimidazole4238-71-541 % similar 1H-Imidazole-1-acetic acid22884-10-239 % similar 1-Methylimidazole616-47-737 % similar

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

Same formula

1,3,5-Trimethylpyrazole1072-91-9 1-Isopropyl-1H-pyrazole18952-87-9 1-Pyrrolidineacetonitrile29134-29-0 2-Isopropylimidazole36947-68-9 1-(1-Methylethyl)-1H-imidazole4532-96-1 2-Propylimidazole50995-95-4 2-Ethyl-4-methylimidazole931-36-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook