Basic information
- CAS
102-53-4- Standard SMILES
CCN(CC)CN(CC)CC- InChIKey
UNEXJVCWJSHFNN-UHFFFAOYSA-N- Molecular formula
- C9H22N2
- Average molar mass
- 158.28 g/mol
- Monoisotopic mass
- 158.17829871
Names & identifiers
- Preferred name
- Tetraethylmethylenediamine
- IUPAC
- N,N,N',N'-tetraethylmethanediamine
- English name
- N,N,N',N'-Tetraethylmethylenediamine
- Molecular formula
- C9H22N2
- Molecular weight
- 158.28
Names & synonyms
Show more names
Database identifiers
- CAS
102-53-4- PubChem CID
- 66020
- DTXSID
DTXSID9059256- UNII
- 9DJ3133IMJ
- EC Number
- 203-038-8
- Nikkaji
- J129.271D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 65
Physicochemical properties
- Melting point
- 37.5 °C · 37.5°C (estimate)
- Boiling point
- 166 · 166-169 °C(lit.)
- Density
- 0.811 g/mL · 0.811 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.426(lit.)
- Flash point
- 108 °F · 108 °F
- form
- Liquid
- pka
- 7.85 · 7.85±0.50(Predicted)
- InChI
- 1S/C9H22N2/c1-5-10(6-2)9-11(7-3)8-4/h5-9H2,1-4H3
- InChIKey
- UNEXJVCWJSHFNN-UHFFFAOYSA-N
- SMILES
- CCN(CC)CN(CC)CC
- FDA UNII
- 9 DJ3133IMJ · 9DJ3133IMJ
- EPA Substance Registry System
- Methanediamine, N,N,N',N'-tetraethyl- (102-53-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 226 · H226-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
- C
- Risk Statements
- 10 · 10-34
- Safety Statements
- 16 · 16-26-27-36/37/39-45
- RIDADR
- 2734 · UN 2734 8/PG 2
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 1 Flam · Eye Dam. 1Flam. Liq. 3Skin Corr. 1B
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids];H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2734 8/PG 2
- risk_code
- 10-34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- C
- safety_code
- 16-26-27-36/37/39-45
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H314
- Hazard Classifications
- Eye Dam. 1Flam. Liq. 3Skin Corr. 1B
- Precautionary statements
- P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Applications
UsesN,N,N′,N′-Tetraethylmethanediamine has been used to study the tertiary amine catalytic activities in the reaction of phenyl isocyanate with 1-butanol in toluene.
Upstream & downstream products
Upstream raw materials
Suppliers32 total
Related reactions
Compound notes
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