2-Aminomethyl-1H-imidazole

C₄H₇N₃CAS 53332-80-297.12 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₄H₇N₃
Molar mass: 97.12 g/mol
Exact mass: 97.0640 Da
logP: -0.13Crippen estimate
Polar surface area: 54.7 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

53332-80-2

SMILES

NCc1ncc[nH]1

InChIKey

CRZDNISJUXVSKX-UHFFFAOYSA-N

InChI

InChI=1S/C4H7N3/c5-3-4-6-1-2-7-4/h1-2H,3,5H2,(H,6,7)

Weigh it out

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

Names and synonyms

7 names

1H-Imidazole-2-methanamine
Imidazol-2-ylmethylamine
2-(Aminomethyl)imidazole
1-(1H-Imidazol-2-yl)methanamine
[(1H-Imidazol-2-yl)methyl]amine
(1H-Imidazol-2-yl)methanamine
1H-Imidazol-2-ylmethanamine

Work with 2-Aminomethyl-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1H-Imidazol-2-ylmethylamine dihydrochloride22600-77-7Salt

Similar compounds

2-Ethylimidazole1072-62-454 % similar 1H-Imidazole-2-methanol3724-26-354 % similar 2-Propylimidazole50995-95-450 % similar 2-Butyl-1H-imidazole50790-93-747 % similar 2-Undecylimidazole16731-68-344 % similar 2-Heptadecylimidazole23328-87-244 % similar 2,2'-Biimidazole492-98-842 % similar 2-Cyclopropyl-1H-imidazole89532-38-738 % similar

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

Same formula

1-Methyl-1H-pyrazol-5-amine1192-21-8 1-Methyl-1H-pyrazol-3-amine1904-31-0 3-Amino-5-methylpyrazole31230-17-8 1-Methyl-1H-imidazol-2-amine6646-51-1 1-Methyl-1H-pyrazol-4-ylamine69843-13-6 3,5-Dimethyl-4H-1,2,4-triazole7343-34-2

Elsewhere

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