(4-Fluoro-benzyl)-(1-methyl-1H-pyrrol-2-ylmethyl)-amine hydrochloride
Basic information
- CAS
1052413-69-0- Standard SMILES
Cl.Cn1cccc1CNCc1ccc(F)cc1- InChIKey
WJPBZODGSFMVNE-UHFFFAOYSA-N- Molecular formula
- C13H16ClFN2
- Average molar mass
- 254.73 g/mol
Names & identifiers
- Preferred name
- (4-Fluoro-benzyl)-(1-methyl-1H-pyrrol-2-ylmethyl)-amine hydrochloride
- IUPAC
- 1-(4-fluorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride
- English name
- (4-Fluoro-benzyl)-(1-methyl-1H-pyrrol-2-ylmethyl)-amine hydrochloride
- Molecular formula
- C13H15FN2.ClH
- Molecular weight
- 254.73
Names & synonyms
(4-FLUORO-BENZYL)-(1-METHYL-1H-PYRROL-2-YLMETHYL)-AMINE HYDROCHLORIDE1-(4-fluorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochlorideMLS000559708(4-Fluoro-benzyl)-(1-methyl-1H-pyrrol-2-ylmethyl)-amineCHEMBL1492151AKOS015849663SMR000178709
Database identifiers
- CAS
1052413-69-0- ChEMBL
CHEMBL1492151
Properties
Computed structural properties
- Topological polar surface area
- 17 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Hazard Codes
- Xi
- 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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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