1-Benzyl-1H-pyrazol-5-amine
Basic information
- CAS
3528-51-6- Standard SMILES
Nc1ccnn1Cc1ccccc1- InChIKey
CJDYNUBRSBSSJU-UHFFFAOYSA-N- Molecular formula
- C10H11N3
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.09529735
Names & identifiers
- Preferred name
- 1-Benzyl-1H-pyrazol-5-amine
- IUPAC
- 2-benzylpyrazol-3-amine
- English name
- 1-benzyl-1H-pyrazol-5-amine
- Molecular formula
- C10H11N3
- Molecular weight
- 173.21
Names & synonyms
1-Benzyl-1H-pyrazol-5-amine3528-51-61-(PHENYLMETHYL)-1H-PYRAZOL-5-AMINEEINECS 222-550-2DTXSID30188764RefChem:429756DTXCID90111255222-550-22-benzylpyrazol-3-amine1H-Pyrazol-5-amine, 1-(phenylmethyl)-MFCD035967695-amino-1-phenylmethylpyrazole
Show more names
1-bezyl-1H-pyrazol-5-amine1-benzyl-1H-pyrazole-5-amine[2-(benzyl)pyrazol-3-yl]amine1-(Benzyl)-1H-pyrazol-5-ylamine1-Benzyl-1H-pyrazol-5-amine 98%2-(phenylmethyl)pyrazol-3-amine1-benzyl-1H-pyridineazole-5-amine
1-benzylpyrazole-5-ylamine5-Amino-1-benzylpyrazoleJL5SY6Q8TWSCHEMBL5688681--benzyl--5--aminopyrazolePyrazole, 5-amino-1-benzyl-2-Benzyl-2H-pyrazol-3-ylamine(1-Benzyl-1H-pyrazol-5-yl)amine
Database identifiers
- CAS
3528-51-6- PubChem CID
- 77061
- DTXSID
DTXSID30188764- UNII
- JL5SY6Q8TW
- EC Number
- 222-550-2
- Nikkaji
- J216.173G
Properties
Computed structural properties
- XLogP
- 1.5
- 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
- 154
Physicochemical properties
- Melting point
- 79 · 79-81 °C
- Boiling point
- 176 · 176-178 °C(Press: 0.5 Torr)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.92 · 3.92±0.10(Predicted)
- Appearance
- White to off-white Solid
- FDA UNII
- 5 SY6Q8TW · JL5SY6Q8TW
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HazardClass
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Suppliers
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Related reactions
37 records
Compound notes
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