Basic information
- CAS
4559-79-9- Standard SMILES
CN(C)CC=CCN(C)C- InChIKey
KUEDAAUECWBMLW-UHFFFAOYSA-N- Molecular formula
- C8H18N2
- Average molar mass
- 142.24 g/mol
- Monoisotopic mass
- 142.14699858
Names & identifiers
- Preferred name
- N,N,N',N'-Tetramethylbut-2-enylenediamine
- IUPAC
- N,N,N',N'-tetramethylbut-2-ene-1,4-diamine
- English name
- N,N,N',N'-Tetramethyl-2-butene-1,4-diamine
- Molecular formula
- C8H18N2
- Molecular weight
- 142.24
Names & synonyms
N,N,N',N'-Tetramethylbut-2-enylenediamineN,N,N',N'-tetramethylbut-2-ene-1,4-diamine2-Butene-1,4-diamine,N1,N1,N4,N4-tetramethyl-, (2E)-NCIOpen2_003362SCHEMBL235759DTXSID40858749(?)-Methyl (S)-|A-bromoisobutyrateAKOS030228305methyl (s)-3-bromo-2-methylpropionate(?)-Methyl (S)-3-bromo-2-methylpropionateNS000835922-Butene-1,4-diamine, N1,N1,N4,N4-tetramethyl-
Show more names
N,N,N',N'-TetramEt-2-butene-1,4-diamineN,N,N',N'-TETRAMETHYL-1,4-DIAMINO-2-BUTENEN,N,N',N'-Tetramethyl-2-butene-1,4-diamine2-Butene-1,4-diamine, N,N,N',N'-tetramethyl-N1,N1,N4,N4-Tetramethyl-2-butene-1,4-diamineN,N,N',N'-Tetramethyl-2-butene-1,4-diamine,95%(E)-N,N,N',N'-TETRAMETHYL-BUT-2-ENE-1,4-DIAMINETRANS-N,N,N',N'-TETRAMETHYL-2-BUTENE-1,4-DIAMINE
N~1~,N~1~,N~4~,N~4~-Tetramethylbut-2-ene-1,4-diamine
Database identifiers
- CAS
4559-79-9- PubChem CID
- 66979
- DTXSID
DTXSID40858749- EC Number
- 224-928-2
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 83.4
Physicochemical properties
- Boiling point
- 172 · 172-173 °C723 mm Hg(lit.)
- Density
- 0.82 g/mL · 0.82 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4416(lit.)
- Flash point
- 123 °F · 123 °F
- form
- clear liquid
- pka
- 9.31 · 9.31±0.28(Predicted)
- color
- Colorless to Light orange to Yellow
- InChI
- 1S/C8H18N2/c1-9(2)7-5-6-8-10(3)4/h5-6H,7-8H2,1-4H3/b6-5+
- InChIKey
- KUEDAAUECWBMLW-AATRIKPKSA-N
- SMILES
- CN(C)C\C=C\CN(C)C
- CAS DataBase Reference
- 4559 · 4559-79-9(CAS DataBase Reference)
- UNSPSC Code
- 12162002 · 12162002
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 226 · H226-H314
- 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
Danger
H226 (100%): Flammable liquid and vapor [Warning 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 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- F
- 10-34
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2734 8/PG 2
- hs_code
- 2921290090
- risk_code
- 10-34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- C
- safety_code
- 16-26-36/37/39-45-27
- hazard_class
- 8
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H226-H314
- Hazard Classifications
- Flam. Liq. 3Skin Corr. 1B
Chemistry & industry
Applications
UsesN,N,N',N'-Tetramethyl-2-butene-1,4-diamine is used in the synthesis of quaternary bisammonium surfactants with antimicrobial activity against Pseudomonas aeruginosa.
Upstream & downstream products
Upstream raw materials
Suppliers36 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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