N,N'-Bis(2-hydroxyethyl)oxamide
Basic information
- CAS
1871-89-2- Standard SMILES
O=C(NCCO)C(=O)NCCO- InChIKey
FPQJEXTVQZHURJ-UHFFFAOYSA-N- Molecular formula
- C6H12N2O4
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.07970687
Names & identifiers
- Preferred name
- N,N'-Bis(2-hydroxyethyl)oxamide
- IUPAC
- N,N'-bis(2-hydroxyethyl)oxamide
- English name
- N,N'-Bis(2-hydroxyethyl)oxamide
- Molecular formula
- C6H12N2O4
- Molecular weight
- 176.17
Names & synonyms
N,N'-Bis(2-hydroxyethyl)oxamideN,N'-bis(2-hydroxyethyl)ethanediamideEthanediamide, N,N'-bis(2-hydroxyethyl)-Ethanediamide, N1,N2-bis(2-hydroxyethyl)-T92N2YR78XNSC-3646Oxamide, N,N'-bis(2-hydroxyethyl)-AI3-18203DTXSID6074596FPQJEXTVQZHURJ-UHFFFAOYSA-NSC 3646RefChem:821753
Show more names
S-DIETHANOLOXAMIDETIMTEC-BB SBB008397N,N'-DIETHANOLOXAMIDEN,N'-OXALYLBIS(ETHANOLAMINE)N,N'-Bis(2-hydroxyethyl)oxamide >n,n’-bis(2-hydroxyethyl)-ethanediamid
DTXCID0035904621-403-3InChI=1/C6H12N2O4/c9-3-1-7-5(11)6(12)8-2-4-10/h9-10H,1-4H2,(H,7,11)(H,8,12)1871-89-2N1,N2-Bis(2-hydroxyethyl)oxalamideNN'-Bis(2-hydroxyethyl)oxamideMFCD00020559N,N/'-Bis(2-hydroxyethyl)oxamide
Database identifiers
- CAS
1871-89-2- PubChem CID
- 74638
- DTXSID
DTXSID6074596- UNII
- T92N2YR78X
- EC Number
- 621-403-3
- Nikkaji
- J70.954I
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Melting point
- 168 °C · 168 °C (dec.)(lit.)
- Density
- 1.31 · 1.310±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- powder to crystal
- pka
- 11.69 · 11.69±0.46(Predicted)
- color
- White to Almost white
- Water Solubility
- Insoluble in water.
- Sensitive
- Hygroscopic
- InChI
- InChI=1S/C6H12N2O4/c9-3-1-7-5(11)6(12)8-2-4-10/h9-10H,1-4H2,(H,7,11)(H,8,12)
- InChIKey
- FPQJEXTVQZHURJ-UHFFFAOYSA-N
- SMILES
- C(NCCO)(=O)C(NCCO)=O
- CAS DataBase Reference
- 1871 · 1871-89-2(CAS DataBase Reference)
- FDA UNII
- 92 N2YR78X · T92N2YR78X
- NIST Chemistry Reference
- Oxamide, n,n'-bis-(2-hydroxyethyl)-(1871-89-2)
- EPA Substance Registry System
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
Warning
H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Sens. 1 (97.6%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1759 8/PG 2
- hs_code
- 2924.19.8000
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T,Xi
- safety_code
- 45-36/37
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanediamide, N1,N2-bis(2-hydroxyethyl)-: ACTIVE
Applications
UsesN.N'-Bis(2-hydroxyethyl)oxamide is an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
Related reactions
1 records
Compound notes
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