1-(1-phenylethyl)-1H-pyrazol-5-amine
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Basic information
- CAS
3524-13-8- Standard SMILES
CC(c1ccccc1)n1nccc1N- InChIKey
IGLWFDGTGHDOKW-UHFFFAOYSA-N- Molecular formula
- C11H13N3
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.11094743
Names & identifiers
- Preferred name
- 1-(1-phenylethyl)-1H-pyrazol-5-amine
- IUPAC
- 2-(1-phenylethyl)pyrazol-3-amine
- English name
- 1-(1-PHENYLETHYL)-1H-PYRAZOL-5-AMINE
- Molecular formula
- C11H13N3
- Molecular weight
- 187.24
Names & synonyms
1-(1-phenylethyl)-1H-pyrazol-5-amine3524-13-8DTXSID00389988RefChem:222583DTXCID703408492-(1-phenylethyl)pyrazol-3-amine2-(1-Phenyl-ethyl)-2H-pyrazol-3-ylamine1H-Pyrazol-5-amine,1-(1-phenylethyl)-MFCD035967761-(phenylethyl)pyrazole-5-ylamine1308AESCHEMBL11642483
Show more names
1H-Pyrazol-5-amine, 1-(1-phenylethyl)-1-(1-phenylethyl)-1H-pyrazol-5-amine(SALTDATA: FREE)
DAA52413SBB010764AKOS000118513AKOS016346811BS-36739DB-028151ST50277715EN300-12705
Database identifiers
- CAS
3524-13-8- PubChem CID
- 3152196
- DTXSID
DTXSID00389988
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Boiling point
- 362.7 · 362.7±25.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 3.94 · 3.94±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
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
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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