1-[4-(1H-imidazol-1-ylmethyl)phenyl]methanamine
Basic information
- CAS
112086-47-2- Standard SMILES
NCc1ccc(Cn2ccnc2)cc1- InChIKey
UVIGZMZSEKYQAZ-UHFFFAOYSA-N- Molecular formula
- C11H13N3
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.11094743
Names & identifiers
- Preferred name
- 1-[4-(1H-imidazol-1-ylmethyl)phenyl]methanamine
- IUPAC
- [4-(imidazol-1-ylmethyl)phenyl]methanamine
- English name
- 1-[4-(1H-Imidazol-1-ylmethyl)phenyl]methanamine
- Molecular formula
- C11H13N3
- Molecular weight
- 187.24
Names & synonyms
112086-47-21-[4-(1H-imidazol-1-ylmethyl)phenyl]methanamine(4-((1H-Imidazol-1-yl)methyl)phenyl)methanamine{4-[(1H-imidazol-1-yl)methyl]phenyl}methanamine[4-(imidazol-1-ylmethyl)phenyl]methanamine4-(1H-Imidazol-1-ylmethyl)benzylamineMFCD08444250[4-(imidazolylmethyl)phenyl]methylamine[4-[(1H-IMIDAZOL-1-YL)METHYL]PHENYL]METHANAMINESCHEMBL7284368SCHEMBL27606315DTXSID10429460
Show more names
SBB026616IFLAB-BB F2124-0474AKOS000264190SY083001TS-01482[4-(1H-imidazol-1-ylmethyl)benzyl]amine4-(imidazol-1-ylmethyl)phenyl]methanamineDB-179223
Database identifiers
- CAS
112086-47-2- PubChem CID
- 9504019
- DTXSID
DTXSID10429460
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- storage temp.
- 2 · 2-8°C, protect from light
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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 statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Compound notes
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