1H-Imidazole-2-ethanamine, 1-methyl-
Basic information
- CAS
87786-06-9- Standard SMILES
Cn1ccnc1CCN- InChIKey
XCKQBMQJPNDJLD-UHFFFAOYSA-N- Molecular formula
- C6H11N3
- Average molar mass
- 125.17 g/mol
- Monoisotopic mass
- 125.09529736
Names & identifiers
- Preferred name
- 1H-Imidazole-2-ethanamine, 1-methyl-
- IUPAC
- 2-(1-methylimidazol-2-yl)ethanamine
- English name
- 2-(1-Methyl-1H-imidazol-2-yl)-ethylamine
- Molecular formula
- C6H11N3
- Molecular weight
- 125.17
Names & synonyms
87786-06-91H-Imidazole-2-ethanamine, 1-methyl-DTXSID20236627RefChem:238208DTXCID501591182-(1-Methyl-1H-imidazol-2-yl)ethanamine2-(1-methylimidazol-2-yl)ethanamine2-(1-methyl-1H-imidazol-2-yl)ethan-1-amine2-(1-methyl-1H-imidazol-2-yl)ethanamine dihydrochlorideSCHEMBL6595771-methyl (-aminoethyl)-imidazoleALBB-015244
Show more names
RARECHEM AN KA 07041-Methyl-1H-imidazole-2-ethanamine2-(1-methylimidazol-2-yl)ethylamine2-(1-methyl-2-imidazolyl)ethanamine2-(1-Methyl-1H-imidazol-2-yl)-ethylamine2-(1-methyl-1H-imidazol-2-yl)ethanamine(SALTDATA: FREE)
MFCD06660875AKOS005175101AB267572-(1-Methyl-1H-imidazol-2-yl);ethanamineEN300-52340
Database identifiers
- CAS
87786-06-9- PubChem CID
- 159158
- DTXSID
DTXSID20236627
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 84.4
Physicochemical properties
- Boiling point
- 273.6 · 273.6±23.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 9.04 · 9.04±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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