1-Propylimidazole

C₆H₁₀N₂CAS 35203-44-2110.16 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-(2-Phenylethyl)-1H-imidazole49823-14-548 % similar Imidazol-1-yl-acetonitrile98873-55-348 % similar 3-Imidazol-1-yl-propionic acid18999-45-645 % similar 1-(2-Imidazol-1-yl-ethyl)-piperazine381721-55-745 % 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 N-Ethyl-2-methylimidazole21202-52-8 Pyrrolidine-1-acetonitrile29134-29-0 2-Isopropylimidazole36947-68-9 4-Cyanopiperidine4395-98-6 1-(1-Methylethyl)-1H-imidazole4532-96-1 2-Ethyl-4-methylimidazole46227-74-1

Elsewhere

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