Basic information
- CAS
59388-58-8- Standard SMILES
Cc1ccc2c(c1)NC(C)(C)CC2C- InChIKey
NRWNXIXJZMSDAU-UHFFFAOYSA-N- Molecular formula
- C13H19N
- Average molar mass
- 189.3 g/mol
- Monoisotopic mass
- 189.15174961
Overview
antioxidant; structure in first source
Names & identifiers
- Preferred name
- 2,2,4,7-Tetramethyl-1,2,3,4-tetrahydroquinoline
- IUPAC
- 2,2,4,7-tetramethyl-3,4-dihydro-1H-quinoline
- English name
- 1,2,3,4-TETRAHYDRO-2,2,4,7-TETRAMETHYLQUINOLINE
- Molecular formula
- C13H19N
- Molecular weight
- 189.3
Names & synonyms
2,2,4,7-tetramethyl-1,2,3,4-tetrahydroquinolineTM-THQ cpdRefChem:87197759388-58-81,2,3,4-Tetrahydro-2,2,4,7-tetramethylquinolineQuinoline, 1,2,3,4-tetrahydro-2,2,4,7-tetramethyl-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolineMFCD00799587SCHEMBL1092010SCHEMBL6141613SCHEMBL29837461DTXSID10886357
Show more names
Einecs 261-732-62,2,4,7-TETRAMETHYL-3,4-DIHYDRO-1H-QUINOLIN
ALBB-032569JCA38858AKOS0158972002,2,4,7-TetramethyltetrahydroquinolineLS-12129SY302431NS00055572ST50826956
Database identifiers
- CAS
59388-58-8- PubChem CID
- 101035
- DTXSID
DTXSID10886357- EC Number
- 261-732-6
- Nikkaji
- J298.140H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 123 °C5 · 123 °C5 mm Hg(lit.)
- Density
- 0.975 g/mL · 0.975 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.549(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- room temp
- form
- liquid
- pka
- 5.42 · 5.42±0.60(Predicted)
- Specific Gravity
- 0.975 · 0.975
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- 1S/C13H19N/c1-9-5-6-11-10(2)8-13(3,4)14-12(11)7-9/h5-7,10,14H,8H2,1-4H3
- InChIKey
- NRWNXIXJZMSDAU-UHFFFAOYSA-N
- SMILES
- CC1CC(C)(C)Nc2cc(C)ccc12
- EPA Substance Registry System
- 1 · Quinoline, 1,2,3,4-tetrahydro-2,2,4,7-tetramethyl- (59388-58-8)
- UNSPSC Code
- 12171500 · 12171500
- NACRES
- 47 · NA.47
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2933499090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- 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
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationQuinoline, 1,2,3,4-tetrahydro-2,2,4,7-tetramethyl-: ACTIVE
Applications
Uses1,2,3,4-Tetrahydro-2,2,4,7-tetramethylquinoline is used as a reactant in the preparation of ansa-ammonium borates, their properties and use as highly active metal-free catalysts for hydrogenation of imines and quinoline
Upstream & downstream products
Downstream products
Suppliers15 total
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州市宣明医药科技有限公司+86-519-85525359 +86-15995072465 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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