Hexamethyltriethylenetetramine
Basic information
- CAS
3083-10-1- Standard SMILES
CN(C)CCN(C)CCN(C)CCN(C)C- InChIKey
DWFKOMDBEKIATP-UHFFFAOYSA-N- Molecular formula
- C12H30N4
- Average molar mass
- 230.39 g/mol
- Monoisotopic mass
- 230.24704697
Overview
structure in first source
Names & identifiers
- Preferred name
- Hexamethyltriethylenetetramine
- IUPAC
- N'-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-N,N,N'-trimethylethane-1,2-diamine
- English name
- 1,1,4,7,10,10-HEXAMETHYLTRIETHYLENETETRAMINE
- Molecular formula
- C12H30N4
- Molecular weight
- 230.39
Names & synonyms
1,1,4,7,10,10-Hexamethyltriethylenetetramine3083-10-1Hexamethyltriethylenetetramine2,5,8,11-Tetramethyl-2,5,8,11-tetraazadodecane0OAF7T9SCQN,N,N',N'',N''',N'''-HexamethyltriethylenetetramineTriethylenetetramine, 1,1,4,7,10,10-hexamethyl-N,N'-Bis(2-(dimethylamino)ethyl)-N,N'-dimethylethylenediamineNSC-1664881,2-Ethanediamine, N,N'-bis(2-(dimethylamino)ethyl)-N,N'-dimethyl-1,2-Ethanediamine, N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethyl-DTXSID6062836
Show more names
SKL6801,1,4,7,1,1-Hexamethyltriethylenetetramine1,1,4,7,10,10-hexamethyl-triethylenetetramin1,1,4,7,10,10-Hexamethyltriethylenetetramine ,97%
1,2-Ethanediamine, N1,N2-bis(2-(dimethylamino)ethyl)-N1,N2-dimethyl-N,N'-Bis[2-(dimethylamino)ethyl]-N,N'-dimethylethylenediamineHMTTA cpdRefChem:409662DTXCID4038265221-382-7N1,N1'-(Ethane-1,2-diyl)bis(N1,N2,N2-trimethylethane-1,2-diamine)HMTETA
Database identifiers
- CAS
3083-10-1- PubChem CID
- 76509
- DTXSID
DTXSID6062836- ChEMBL
CHEMBL1214194- UNII
- 0OAF7T9SCQ
- EC Number
- 221-382-7
- Nikkaji
- J217.245C
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 13 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Melting point
- 162 °C · 162 °C
- Boiling point
- 130 °C/11 · 130 °C/11 mmHg (lit.)
- Density
- 0.847 g/mL · 0.847 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.456(lit.)
- Flash point
- 215 °F · 215 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- clear liquid
- pka
- 8.83 · 8.83±0.38(Predicted)
- color
- Colorless to Light orange to Yellow
- Water Solubility
- Soluble in water.
- Stability
- Stable. Incompatible with strong oxidizing agents.
- InChI
- InChI=1S/C12H30N4/c1-13(2)7-9-15(5)11-12-16(6)10-8-14(3)4/h7-12H2,1-6H3
- InChIKey
- DWFKOMDBEKIATP-UHFFFAOYSA-N
- SMILES
- C(N(CCN(C)C)C)CN(CCN(C)C)C
- CAS DataBase Reference
- 3083 · 3083-10-1
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
Danger
H314 (86.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 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 Corr. 1B (86.7%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KH8587135
- ridadr
- UN 2735 8/PG 2
- hs_code
- 29212900
- risk_code
- 36/37/38-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi,C
- safety_code
- 26-37/39-45-36/37/39
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Ethanediamine, N1,N2-bis[2-(dimethylamino)ethyl]-N1,N2-dimethyl-: ACTIVE
Applications
Uses1,1,4,7,10,10-Hexamethyltriethylenetetramine may be used as reagent in the synthesis of ideal linear random copolymers containing both vinyl polymer and polyester units in a single polymer chain. 1,1,4,7,10,10-Hexamethyltriethylenetetramine complexed with CuBr constitutes catalytic complex, used in the copolymerization of poly[ε-caprolactone] with N,N-dimethylamino-2-ethyl methacrylate monomers by atom-transfer radical polymerization (ATRP). It may be used as catalyst in the aqueous surface-initiated-ATRP to grow poly(N,N-dimethylacrylamide) (PDMA).
Usessuzuki reaction
General Description1,1,4,7,10,10-Hexamethyltriethylenetetramine is a polyamines additive, has been reported as an efficient reagent for the problematic Koenigs-Knorr glucuronidation.
Upstream & downstream products
Upstream raw materials
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Compound notes
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