2-[(1-Imidazolyl)methyl]aniline
Basic information
- CAS
61292-50-0- Standard SMILES
Nc1ccccc1Cn1ccnc1- InChIKey
QTGCFYAOEWCKHO-UHFFFAOYSA-N- Molecular formula
- C10H11N3
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.09529736
Names & identifiers
- Preferred name
- 2-[(1-Imidazolyl)methyl]aniline
- IUPAC
- 2-(imidazol-1-ylmethyl)aniline
- English name
- 2-[(1-Imidazolyl)methyl]aniline
- Molecular formula
- C10H11N3
- Molecular weight
- 173.21
Names & synonyms
2-[(1-Imidazolyl)methyl]aniline61292-50-02-(1H-imidazol-1-ylmethyl)aniline2-[(1H-Imidazol-1-yl)methyl]anilineMFCD098141892-(IMIDAZOL-1-YLMETHYL)ANILINEBenzenamine, 2-(1H-imidazol-1-ylmethyl)-SCHEMBL241SCHEMBL27588545DTXSID40545147LCA29250AC6471
Show more names
AKOS000161069SY028814DB-226891CS-0251683EN300-55746Z285163630
Database identifiers
- CAS
61292-50-0- PubChem CID
- 13617875
- DTXSID
DTXSID40545147
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933299090 · 2933299090
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
- hs_code
- 2933299090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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