2-Benzylpyrazine
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Basic information
- CAS
28217-95-0- Standard SMILES
c1ccc(Cc2cnccn2)cc1- InChIKey
QGSOPZAYKHDVDO-UHFFFAOYSA-N- Molecular formula
- C11H10N2
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.08439833
Names & identifiers
- Preferred name
- 2-Benzylpyrazine
- IUPAC
- 2-benzylpyrazine
- English name
- Pyrazine, 2-(phenylMethyl)-
- Molecular formula
- C11H10N2
- Molecular weight
- 170.21
Names & synonyms
2-benzylpyrazine28217-95-0Benzyl pyrazinePyrazine, 2-(phenylmethyl)-Pyrazine, benzyl-MFCD18449271(Phenylmethyl)pyrazine2-Phenylmethyl-pyrazineG3BRN3E6GBPyrazine, 2-phenylmethyl-benzylpyrazineUNII-G3BRN3E6GB
Show more names
orb3023731SCHEMBL3048473SCHEMBL7765645SCHEMBL11072756DTXSID90334326TN9272AKOS006370719DS-5585
Database identifiers
- CAS
28217-95-0- PubChem CID
- 520370
- DTXSID
DTXSID90334326- UNII
- G3BRN3E6GB
- Nikkaji
- J372.353D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- FDA UNII
- 3 BRN3E6GB · G3BRN3E6GB
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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