1H-Imidazol-2-ylmethylamine dihydrochloride

C4H9Cl2N3CAS 22600-77-7170.04 g/mol

Open in Covalent MOL file
NHNH2NHClHCl
Primary amine

Properties

Molecular formula
C4H9Cl2N3
Molar mass
170.04 g/mol
Exact mass
169.0174 Da
logP
0.71Crippen estimate
Polar surface area
54.7 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
22600-77-7
SMILES
C1=CN=C(N1)CN.Cl.Cl
InChIKey
KYUDBQDDNKPSIC-UHFFFAOYSA-N
InChI
InChI=1S/C4H7N3.2ClH/c5-3-4-6-1-2-7-4;;/h1-2H,3,5H2,(H,6,7);2*1H

Weigh it out

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Names and synonyms

1 names
  • 1H-Imidazol-2-ylmethanamine dihydrochloride

Work with 1H-Imidazol-2-ylmethylamine dihydrochloride

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.

2-Aminomethyl-1H-imidazole53332-80-2Free base

Similar compounds

2-Ethylimidazole1072-62-448 % similar 1H-Imidazole-2-methanol3724-26-348 % similar 2-Propylimidazole50995-95-445 % similar 2-Aminomethylpyrimidine hydrochloride372118-67-743 % similar 2-Fluoro-1H-imidazole hydrochloride42309-92-243 % similar 2-Butyl-1H-imidazole50790-93-742 % similar (3-Chloropyrazin-2-yl)methanamine hydrochloride939412-86-942 % similar 2-Undecylimidazole16731-68-340 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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