(3-(1H-Pyrazol-1-yl)phenyl)methanamine
Basic information
- CAS
687635-04-7- Standard SMILES
NCc1cccc(-n2cccn2)c1- InChIKey
YWZKZHCZKIKAAC-UHFFFAOYSA-N- Molecular formula
- C10H11N3
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.09529736
Names & identifiers
- Preferred name
- (3-(1H-Pyrazol-1-yl)phenyl)methanamine
- IUPAC
- (3-pyrazol-1-ylphenyl)methanamine
- English name
- 3-Pyrazol-1-yl-benzylamine
- Molecular formula
- C10H11N3
- Molecular weight
- 173.21
Names & synonyms
687635-04-7(3-(1H-Pyrazol-1-yl)phenyl)methanamine3-Pyrazol-1-yl-benzylamine(3-pyrazol-1-ylphenyl)methanamine[3-(1H-Pyrazol-1-yl)phenyl]methylamineMFCD034490051-[3-(1H-pyrazol-1-yl)phenyl]methanamineBenzenemethanamine, 3-(1H-pyrazol-1-yl)-[3-(1H-pyrazol-1-yl)phenyl]methanamineCHEMBL1622853[3-(1H-pyrazol-1-yl)benzyl]amine3-(1H-Pyrazol-1-yl)benzylamine
Show more names
CHEMBRDG-BB 40032893-PYRAZOL-1-YL-BENZYLAMINE HCL[3-(1-pyrazolyl)phenyl]methanamine
3-(1-Pyrazolyl)benzylamineOprea1_340765Oprea1_667250(3-pyrazolylphenyl)methylamineSCHEMBL1793682SCHEMBL27345551SCHEMBL27976159SCHEMBL31018749
Database identifiers
- CAS
687635-04-7- PubChem CID
- 730097
- DTXSID
DTXSID90352601- ChEMBL
CHEMBL1622853
Properties
Computed structural properties
- XLogP
- 1.1
- 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
- Boiling point
- 320.8 · 320.8±25.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 8.79 · 8.79±0.10(Predicted)
- form
- liquid
- color
- Brown
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 280 · P280-P309+P311
- Hazard Codes
- C,Xi
- Risk Statements
- 37 · 37/38-41
- Safety Statements
- 26 · 26-39
- Hazard Note
- Corrosive
- HS Code
- 2921490090 · 2921490090
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
- 2921490090
- risk_code
- 37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C,Xi
- hazard_note
- Corrosive
- safety_code
- 26-39
- Hazard statements
- H302-H314
- Precautionary statements
- P280-P309+P311
Suppliers
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Related reactions
3 records
Compound notes
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