Basic information
- CAS
104-19-8- Standard SMILES
CN(C)CCN1CCN(C)CC1- InChIKey
XFLSMWXCZBIXLV-UHFFFAOYSA-N- Molecular formula
- C9H21N3
- Average molar mass
- 171.28 g/mol
- Monoisotopic mass
- 171.17354767
Names & identifiers
- Preferred name
- 1-(2-(N,N-Dimethylamino)ethyl)-4-methylpiperazine
- IUPAC
- N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine
- English name
- 1-(2-Dimethylaminoethyl)-4-methylpiperazine
- Molecular formula
- C9H21N3
- Molecular weight
- 171.28
Names & synonyms
Show more names
Database identifiers
- CAS
104-19-8- PubChem CID
- 66908
- DTXSID
DTXSID5059292- UNII
- 384CK0D21R
- EC Number
- 203-183-7
- Nikkaji
- J22.150C
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 9.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 117
Experimental & physicochemical properties
Physicochemical properties
- Boiling point
- 96 °C · 96 °C / 12mmHg
- Density
- 0 · 0,89 g/cm3
- vapor pressure
- 28.6 Pa · 28.6Pa at 25℃
- refractive index
- 1.463 · 1.4630-1.4660
- Flash point
- 100 °C · 100°C(lit.)
- Water Solubility
- Completely miscible in water
- form
- clear liquid
- pka
- 9.5 · 9.50±0.28(Predicted)
- color
- Colorless to Light orange to Yellow
- InChI
- InChI=1S/C9H21N3/c1-10(2)4-7-12-8-5-11(3)6-9-12/h4-9H2,1-3H3
- InChIKey
- XFLSMWXCZBIXLV-UHFFFAOYSA-N
- SMILES
- N1(CCN(C)C)CCN(C)CC1
- LogP
- -0.591 at · -0.591 at 21℃
- CAS DataBase Reference
- 104 · 104-19-8(CAS DataBase Reference)
- FDA UNII
- 384 CK0D21R · 384CK0D21R
- EPA Substance Registry System
- 1 · 1-Piperazineethanamine, N,N,4-trimethyl- (104-19-8)
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 302 · H302-H311-H314
- Precautionary statements
- 260 · P260-P264-P270-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2922 · 2922
- RTECS
- 6125000 · TL6125000
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 2933599590 · 2933599590
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (34.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 433 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Piperazineethanamine, N,N,4-trimethyl-
1-Piperazineethanamine, N,N,4-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Piperazineethanamine, N,N,4-trimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 13-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/27533
1-Piperazineethanamine, N,N,4-trimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- tsca
- TSCA listed
- rtecs
- TL6125000
- ridadr
- 2922
- hs_code
- 2933599590
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- safety_code
- 26-36/37/39
- hazard_class
- 8
- packing_group
- II
- Hazard statements
- H302-H311-H314
- REACH Registrations
- Active
- Precautionary statements
- P260-P264-P270-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1-Piperazineethanamine, N,N,4-trimethyl-: ACTIVE
Applications
UsesN,N,4-Trimethylpiperazine-1-ethylamine is an ionic surfactant commonly used as a extender and/or viscosity stabilizer in polyurethane systems. It provides good wetting properties to coatings and improves film formation, surface smoothness, and abrasion resistance. It also helps reduce the hardness of surface films, which is very useful when using soft materials such as foams or rubber.
Upstream & downstream products
Downstream products
Suppliers45 total
Related reactions
Compound notes
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