Basic information
- Standard SMILES
CNCCN(C)C- InChIKey
HVOYZOQVDYHUPF-UHFFFAOYSA-N- Molecular formula
- C5H14N2
- Average molar mass
- 102.18 g/mol
- Monoisotopic mass
- 102.11569845
Names & identifiers
- Preferred name
- 1,2-Ethanediamine, N1,N1,N2-trimethyl-
- IUPAC
- N,N',N'-trimethylethane-1,2-diamine
- English name
- N,N,N'-Trimethylethylenediamine
- Molecular formula
- C5H14N2
- Molecular weight
- 102.18
Names & synonyms
Show more names
Database identifiers
- CAS
142-25-6- PubChem CID
- 67338
- DTXSID
DTXSID8059714- ChEMBL
CHEMBL3780444- UNII
- AE94CUR3DE
- EC Number
- 205-529-2
- Nikkaji
- J25.731A
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 35.1
Physicochemical properties
- Melting point
- -30.89 °C · -30.89°C (estimate)
- Boiling point
- 116 · 116-118 °C(lit.)
- Density
- 0.786 g/mL · 0.786 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.419(lit.)
- Flash point
- 49 °F · 49 °F
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Liquid
- pka
- 10.34 · 10.34±0.10(Predicted)
- color
- Clear colorless
- BRN
- 505989 · 505989
- InChI
- InChI=1S/C5H14N2/c1-6-4-5-7(2)3/h6H,4-5H2,1-3H3
- InChIKey
- HVOYZOQVDYHUPF-UHFFFAOYSA-N
- SMILES
- C(N(C)C)CNC
- LogP
- -0.2 · -0.200
- CAS DataBase Reference
- 142 · 142-25-6(CAS DataBase Reference)
- EPA Substance Registry System
- 1 · 1,2-Ethanediamine, N,N,N'-trimethyl- (142-25-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 225 · H225-H314
- Precautionary statements
- 210 · P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,C
- Risk Statements
- 11 · 11-34-37
- Safety Statements
- 16 · 16-26-36/37/39-45
- RIDADR
- 2733 · UN 2733 3/PG 2
- WGK Germany
- 3 · 3
- F
- 34 · 34
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29212900 · 29212900
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Skin · Flam. Liq. 2Skin Corr. 1B
- Limited Quantities
- 1 L · 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety data
- F
- 34
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2733 3/PG 2
- hs_code
- 29212900
- risk_code
- 11-34-37
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- F,C
- safety_code
- 16-26-36/37/39-45
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H225-H314
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Flam. Liq. 2Skin Corr. 1B
- Precautionary statements
- P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Applications
UsesN,N,N'-Trimethylethylenediamine is used as a precursor in the synthesis of a novel gemini surfactant viz. N,N-dimethyl-N-{2-[N'-methyl-N'-(3-sulfopropyl)-alkylammonium]ethyl}-1-alkylammonium bromides. It is also used as an amine component for in-situ formation of alpha-amino alkoxides. Further, it is involved in the synthesis of N,N'-dimethyl-N'-(2-hydroxy-aethyl)-aethylendiamin.
General DescriptionN,N,N′-Trimethylethylenediamine is synthesized using laser-vaporization supersonic molecular beam. It has been studied using pulsed-field ionization zero electron kinetic energy.
Upstream & downstream products
Downstream products
Suppliers50 total
Related reactions
Linked notes
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