2,3-Dimethyl-1,2,3,4-tetrahydroquinoxaline
Basic information
- CAS
13311-77-8- Standard SMILES
CC1Nc2ccccc2NC1C- InChIKey
JKMHQZSBOQTMRG-UHFFFAOYSA-N- Molecular formula
- C10H14N2
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.11569846
Names & identifiers
- Preferred name
- 2,3-Dimethyl-1,2,3,4-tetrahydroquinoxaline
- IUPAC
- 2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline
- English name
- 2,3-Dimethyl-1,2,3,4-tetrahydroquinoxaline
- Molecular formula
- C10H14N2
- Molecular weight
- 162.23
Names & synonyms
2,3-Dimethyl-1,2,3,4-tetrahydroquinoxaline7739-04-0DTXSID90998604RefChem:1059455DTXCID40142559013311-77-8Quinoxaline, 1,2,3,4-tetrahydro-2,3-dimethyl-MFCD13704502NSC114128SCHEMBL6587899CCG-356423NSC-114128
Show more names
5,6,7,8-tetrahydro-2,3-dimethyl quinoxaline2,3-Dimethyl-1,2,3,4-tetrahydroquinoxaline 97%
2,3-dimethyl-1,2,3,4-tetrahydro-quinoxaline2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline dihydrochloride2,3-Dimethyl-1,2,3,4-tetrahydroquinoxaline, 97%1,2,3,4-Tetrahydro-2,3-dimethylquinoxaline2,3-dimethySCHEMBL30570964JKMHQZSBOQTMRG-UHFFFAOYSA-NALBB-024595
Database identifiers
- CAS
13311-77-8、7739-04-0- PubChem CID
- 270945
- DTXSID
DTXSID90998604- EC Number
- 694-775-8
- Nikkaji
- J591.239C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 109 · 109-114°C
- Boiling point
- 287.171 · 287.171±20.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.964 · 0.964±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- form
- solid
- pka
- 4.702 · 4.702±0.70(predicted)
- Appearance
- Light yellow to yellow Solid
- InChI
- 1S/C10H14N2/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h3-8,11-12H,1-2H3
- InChIKey
- JKMHQZSBOQTMRG-UHFFFAOYSA-N
- SMILES
- CC1Nc2ccccc2NC1C
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H411
- Precautionary statements
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]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 22-51/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xn,N
- safety_code
- 61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H411
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2
- Precautionary statements
- P273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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