(1-Methyl-1H-imidazol-4-yl)methanamine

C₅H₉N₃CAS 486414-83-9111.15 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₅H₉N₃
Molar mass: 111.15 g/mol
Exact mass: 111.0796 Da
logP: -0.12Crippen estimate
Polar surface area: 43.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H314 Causes severe skin burns and eye damage75% of notifiers
H315 Causes skin irritation25% of notifiers
H318 Causes serious eye damage50% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

486414-83-9

SMILES

CN1C=C(N=C1)CN

InChIKey

YSEAGFBRAQOCFM-UHFFFAOYSA-N

InChI

InChI=1S/C5H9N3/c1-8-3-5(2-6)7-4-8/h3-4H,2,6H2,1H3

Weigh it out

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

Names and synonyms

1 names

(1-Methyl-1H-imidazol-4-yl)methylamine

Work with (1-Methyl-1H-imidazol-4-yl)methanamine

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-Methyl-L-histidine332-80-945 % similar 1-Methyl-1H-imidazol-4-amine hydrochloride89088-69-744 % similar 4-Bromo-1-methyl-1H-imidazole25676-75-943 % similar 4-Iodo-1-methyl-1H-imidazole71759-87-043 % similar N'-Methyl-L-histidine methyl ester57519-09-243 % similar 1-Methyl-1H-imidazole-4-carbaldehyde17289-26-839 % similar 1-Methyl-1H-imidazole-4-carbonitrile66121-69-539 % similar (1,5-Dimethyl-1H-pyrazol-3-yl)methanamine423768-52-937 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Pyrazol-1-ylethylamin101395-71-5 5-Amino-3-ethyl-1H-pyrazole1904-24-1 1,3-Dimethyl-1H-pyrazol-5-amine3524-32-1 5-Amino-1-ethylpyrazole3528-58-3 1-Methyl-5-aminomethylimidazole486414-86-2 Histamine51-45-6 1,3-Dimethyl-1H-pyrazol-4-amine64517-88-0 1-Ethyl-1H-pyrazol-4-amine876343-24-7

Elsewhere

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