N-(2-Aminoethyl)ethyleneurea
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Basic information
- CAS
6281-42-1- Standard SMILES
NCCN1CCNC1=O- InChIKey
PODSUMUEKRUDEI-UHFFFAOYSA-N- Molecular formula
- C5H11N3O
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.09021197
Names & identifiers
- Preferred name
- N-(2-Aminoethyl)ethyleneurea
- IUPAC
- 1-(2-aminoethyl)imidazolidin-2-one
- English name
- 1-(2-Aminoethyl)imidazolidin-2-one
- Molecular formula
- C5H11N3O
- Molecular weight
- 129.16
Names & synonyms
1-(2-Aminoethyl)imidazolidin-2-one6281-42-11-(2-Aminoethyl)-2-imidazolidone1-(2-Aminoethyl)-2-imidazolidinone2-Imidazolidinone, 1-(2-aminoethyl)-n-(2-aminoethyl)ethyleneurea1-(2-Aminoethyl)imidazolidinoneDTXSID30447069HKK1MLY77NSC 5776NSC-5776EINECS 228-491-9
Show more names
BUTTPARK 52\06-90CHEMBRDG-BB 40053901-(2-aminoethyl)-2-imidazolone1-(2-Aminoethyl)-imidazolidinone1-(2-aminoethyl)-2-imidazolidinon1-(2-Aminoethyl)-2-oxoimidazolidine
1-(beta-Aminoethyl)-2-imidazolidone2-(2-Oxoimidazolidin-1-yl)ethylamine1-(.beta.-Aminoethyl)-2-imidazolidoneAI3-24564DTXCID1024706N-(2-AMINOETHYL)IMIDAZOLIDONEN-(2-AMINOETHYL)IMIDAZOLIDINONE3-(2-AMINOETHYL)-2-IMIDAZOLIDONE
Database identifiers
- CAS
6281-42-1- PubChem CID
- 80480
- DTXSID
DTXSID3044706- ChEMBL
CHEMBL3187158- UNII
- 9HKK1MLY77
- EC Number
- 228-491-9
- Nikkaji
- J211.522K
Properties
Computed structural propertiesFilling in
- XLogP
- -1.6
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 115
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 138 · 138-140/0.11mm
- Density
- 1.137 · 1.137±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- viscous oil
- pka
- 14.42 · 14.42±0.20(Predicted)
- color
- Orange
- InChI
- InChI=1S/C5H11N3O/c6-1-3-8-4-2-7-5(8)9/h1-4,6H2,(H,7,9)
- InChIKey
- PODSUMUEKRUDEI-UHFFFAOYSA-N
- SMILES
- C1(=O)N(CCN)CCN1
- CAS DataBase Reference
- 6281 · 6281-42-1(CAS DataBase Reference)
- FDA UNII
- 9 HKK1MLY77 · 9HKK1MLY77
- EPA Substance Registry System
- 2 · 2-Imidazolidinone, 1-(2-aminoethyl)- (6281-42-1)
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 (99.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 553 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
2-Imidazolidinone, 1-(2-aminoethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Imidazolidinone, 1-(2-aminoethyl)- 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: 10-11-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18216
2-Imidazolidinone, 1-(2-aminoethyl)-: 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.
Hazard Classes and CategoriesSkin Corr. 1B (99.5%)
Safety data
- tsca
- TSCA listed
- ridadr
- 3259
- hs_code
- 2933290090
- risk_code
- 34
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
2-Imidazolidinone, 1-(2-aminoethyl)-: ACTIVE
Applications
Uses1-(2-Aminoethyl)-2-imidazolidone is a useful research chemical compound used in the preparation of alkyl and aryl azides by chemoselective diazotization of primary amines with in situ-generated fluorosulfonyl azide and their use in the preparation of a combinatorial library of 1,2,3-triazole.
Upstream & downstream products
Upstream raw materials
Related reactions
51 records
Compound notes
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