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Basic information
- CAS
34413-35-9- Standard SMILES
c1cnc2c(n1)CCCC2- InChIKey
XCZPDOCRSYZOBI-UHFFFAOYSA-N- Molecular formula
- C8H10N2
- Average molar mass
- 134.18 g/mol
- Monoisotopic mass
- 134.08439833
Names & identifiers
- Preferred name
- 5,6,7,8-Tetrahydroquinoxaline
- IUPAC
- 5,6,7,8-tetrahydroquinoxaline
- English name
- 5,6,7,8-Tetrahydroquinoxaline
- Molecular formula
- C8H10N2
- Molecular weight
- 134.18
Names & synonyms
5,6,7,8-TETRAHYDROQUINOXALINE34413-35-9CyclohexapyrazineQuinoxaline, 5,6,7,8-tetrahydro-FEMA No. 3321LucelDTXSID40476785,6,7,8-tetrahydro-quinoxalineEINECS 252-002-8UNII-M153CJ9RA0M153CJ9RA0DTXCID2027678
Show more names
FEMA NUMBER 3321nutty quinoxaline5,6,7,8-Tetrahydroquioxaline5,6,7,8-tetrahydro-quinoxalin5.6.7.8-Tetrohydro quinoxaline
FEMA 3321TETRAHYDRO TERRAZINE 0145,6,7,8-TETRAHYDROQUINOXALINE [FHFI]RefChem:101106252-002-8InChI=1/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h5-6H,1-4HTetrahydroquinoxalineXCZPDOCRSYZOBI-UHFFFAOYSA-N
Database identifiers
- CAS
34413-35-9- PubChem CID
- 36822
- DTXSID
DTXSID4047678- ChEMBL
CHEMBL3182352- ChEBI
CHEBI:179433- UNII
- M153CJ9RA0
- EC Number
- 252-002-8
- Nikkaji
- J250.881H
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 99
Physicochemical properties
- Boiling point
- 85 °C3 · 85 °C3 mm Hg(lit.)
- Density
- 1.061 g/mL · 1.061 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.542(lit.)
- FEMA
- 3321 · 3321 | 5,6,7,8-TETRAHYDROQUINOXALINE
- FLAVIS Number
- 14.015 · 14.015 | 5,6,7,8-Tetrahydroquinoxaline
- Flash point
- 195 °F · 195 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- pka
- 2.24 · 2.24±0.20(Predicted)
- color
- Colorless to Yellow to Green
- Specific Gravity
- 1.1334 · 1.1334
- Odor
- 0.1 % · at 0.10 % in dipropylene glycol. musty nut roasted bean cereal corn chip cheese
- Odor Type
- nutty
- biological source
- synthetic
- Water Solubility
- slightly soluble
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
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-24/25-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
OccurrenceReported found in cocoa, coffee, wheat bread, fried cured pork, pork liver, cocoa, coffee, roasted filbert, roasted peanut and roasted sesame seeds.
Usesflavors and fragrances
Preparation methods
PreparationBy condensation of alicyclic α, β-diketone with an α, β-diamine; condensation of an acyclic α, β-diamine with an α, β-dicarbonyl.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Baoji Guokang Healthchem co.,ltd
Related reactions
9 records
Compound notes
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