(3-((1H-Pyrazol-1-yl)methyl)phenyl)methanamine
Basic information
- CAS
562803-76-3- Standard SMILES
NCc1cccc(Cn2cccn2)c1- InChIKey
XKFHMAZBNKKNMT-UHFFFAOYSA-N- Molecular formula
- C11H13N3
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.11094743
Names & identifiers
- Preferred name
- (3-((1H-Pyrazol-1-yl)methyl)phenyl)methanamine
- IUPAC
- [3-(pyrazol-1-ylmethyl)phenyl]methanamine
- English name
- 1-[3-(Aminomethyl)benzyl]-1H-pyrazole 97+%3-(1H-pyrazol-1-ylmethyl)benzylamine
- Molecular formula
- C11H13N3
- Molecular weight
- 187.24
Names & synonyms
562803-76-3(3-((1H-Pyrazol-1-yl)methyl)phenyl)methanamine3-(1H-pyrazol-1-ylmethyl)benzylamine[3-(pyrazol-1-ylmethyl)phenyl]methanamine3-[(1-Pyrazolyl)methyl]benzylamineMFCD085721641-{3-[(1H-Pyrazol-1-yl)methyl]phenyl}methanamine1-[3-(AMINOMETHYL)BENZYL]-1H-PYRAZOLE 97+%3-(1H-PYRAZOL-1-YLMETHYL)BENZYLAMINE{3-[(1H-pyrazol-1-yl)methyl]phenyl}methanamine{3-[(1H-Pyrazol-1-yl)methyl]phenyl}methylamine1-[3-(Aminomethyl)benzyl]-1H-pyrazoleSCHEMBL110733
Show more names
Compound Fr125813-(pyrazol-1-ylmethyl)phenyl]methanamine1-[3-(Aminomethyl)benzyl]-1H-pyrazole 97+%Benzenemethanamine, 3-(1H-pyrazol-1-ylmethyl)-{3-[(1H-Pyrazol-1-yl)methyl]phenyl}methylamine 90%
CHEMBL159431orb3169976SCHEMBL29809114DTXSID50586309Fr12581SBB090614[3-(pyrazolylmethyl)phenyl]methylamineAKOS000143364
Database identifiers
- CAS
562803-76-3- PubChem CID
- 16640564
- DTXSID
DTXSID50586309- ChEMBL
CHEMBL159431- EC Number
- 885-075-5
- Nikkaji
- J1.861.203H
Properties
Computed structural properties
- XLogP
- 0.6
- 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
- 172
Physicochemical properties
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 310 · P310-P260-P280
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2933199090 · 2933199090
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
- 2933199090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302-H314
- Precautionary statements
- P310-P260-P280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…