Basic information
- CAS
91391-83-2- Standard SMILES
c1ccc(CCc2cnccn2)cc1- InChIKey
LQWPAMNCTNMMDB-UHFFFAOYSA-N- Molecular formula
- C12H12N2
- Average molar mass
- 184.24 g/mol
- Monoisotopic mass
- 184.10004839
Names & identifiers
- Preferred name
- 2-Phenethylpyrazine
- IUPAC
- 2-(2-phenylethyl)pyrazine
- English name
- 2-Phenethylpyrazine
- Molecular formula
- C12H12N2
- Molecular weight
- 184.24
Names & synonyms
2-phenethylpyrazine91391-83-22-(2-Phenylethyl)pyrazinePyrazine, phenethyl-MFCD16140369Pyrazine, (2-phenylethyl)-(2-Phenylethyl)pyrazinePyrazine, 2-(2-phenylethyl)-phenylethylpyrazinePhenylethyl-pyrazine2-(2-Phenylethyl)pyrazine #SCHEMBL19179481
Show more names
DTXSID40335126LQWPAMNCTNMMDB-UHFFFAOYSA-NSBB090200AKOS005072197CE-0203H36848F927128
Database identifiers
- CAS
91391-83-2- PubChem CID
- 522982
- DTXSID
DTXSID40335126- Nikkaji
- J1.568.484D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- storage temp.
- Store at room temperature
- Appearance
- White to off-white Solid
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
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
- 2933998090
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
兰州康寓信生物科技有限公司0943-8293106 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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