1-(1-Methylethyl)-1H-imidazole

C₆H₁₀N₂CAS 4532-96-1110.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₀N₂
Molar mass: 110.16 g/mol
Exact mass: 110.0844 Da
Boiling point: 62 °C (at 1 Torr)
logP: 1.46Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H227 Combustible liquid33.3% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers
H412 Harmful to aquatic life with long lasting effects33.3% of notifiers

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

Precautionary statements

P210, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

4532-96-1

SMILES

CC(C)n1ccnc1

InChIKey

IPIORGCOGQZEHO-UHFFFAOYSA-N

InChI

InChI=1S/C6H10N2/c1-6(2)8-4-3-7-5-8/h3-6H,1-2H3

Weigh it out

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

Names and synonyms

7 names

1H-Imidazole, 1-(1-methylethyl)-
Imidazole, 1-isopropyl-
1-Isopropylimidazole
1-Isopropyl-1H-imidazole
N-Isopropylimidazole
1-(Propan-2-yl)-1H-imidazole
1-Propan-2-ylimidazole

Work with 1-(1-Methylethyl)-1H-imidazole

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

1-Methylimidazole616-47-740 % similar Bifonazole60628-96-837 % similar (Trimethylsilyl)imidazole18156-74-636 % similar 1-Ethylimidazole7098-07-936 % similar 1-(1H-Imidazol-1-yl)ethanone2466-76-432 % similar 1-(Methylsulfonyl)-1H-imidazole40736-26-332 % similar 2-Methyl-1-(1-methylethyl)-1H-imidazole84606-45-132 % similar 1,2,4,5-Tetra(1H-imidazol-1-yl)benzene1220714-37-332 % 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 1-Propylimidazole35203-44-2 2-Isopropylimidazole36947-68-9 4-Cyanopiperidine4395-98-6 2-Ethyl-4-methylimidazole46227-74-1

Elsewhere

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