Acetylurea
Basic information
- CAS
591-07-1- Standard SMILES
CC(=O)NC(N)=O- InChIKey
GKRZNOGGALENQJ-UHFFFAOYSA-N- Molecular formula
- C3H6N2O2
- Average molar mass
- 102.09 g/mol
- Monoisotopic mass
- 102.04292744
Names & identifiers
- Preferred name
- Acetylurea
- IUPAC
- N-carbamoylacetamide
- English name
- Acetylurea
- Molecular formula
- C3H6N2O2
- Molecular weight
- 102.09
Names & synonyms
Acetylurea591-07-1N-AcetylureaAcetamide, N-(aminocarbonyl)-AcetylcarbamideMonoacetylurea1-AcetylureaAcetic acid, ureide8KRU31I919NSC-2766DTXSID9060445RefChem:109210
Show more names
acetyl-ureUrea,acetyl-Acetylurea,98%Acetylurea >
DTXCID0042537209-698-3n-carbamoylacetamideN-(Aminocarbonyl)acetamideUrea, acetyl-MFCD00038140CHEMBL5399028NSC 2766
Database identifiers
- CAS
591-07-1- PubChem CID
- 68956
- DTXSID
DTXSID9060445- ChEMBL
CHEMBL5399028- UNII
- 8KRU31I919
- EC Number
- 209-698-3
- Nikkaji
- J2.687E
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 99.1
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 216 · 216-218°C
- Boiling point
- 191.38 °C · 191.38°C (rough estimate)
- Density
- 1.204 · 1.204
- refractive index
- 1.511 · 1.5110 (estimate)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Sparingly, Sonicated), Methanol (Slightly, Sonicated), Water (Slightly)
- pka
- 13 · 13.00±0.70(Predicted)
- form
- Solid
- color
- White to Off-White
- Water Solubility
- 13 g/L · 13g/L(15 ºC)
- BRN
- 1751301 · 1751301
- InChI
- InChI=1S/C3H6N2O2/c1-2(6)5-3(4)7/h1H3,(H3,4,5,6,7)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- rtecs
- AB4331500
- hs_code
- 2924.19.8000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, N-(aminocarbonyl)-: INACTIVE
Applications
UsesAcetylurea is used in the preparation Multiple urea derivative compounds which includes glycogen phosphorylase inhibitors
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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