N1,N2-Dimethylethanediamide
Basic information
- CAS
615-35-0- Standard SMILES
CNC(=O)C(=O)NC- InChIKey
IPZCJUOJSODZNK-UHFFFAOYSA-N- Molecular formula
- C4H8N2O2
- Average molar mass
- 116.12 g/mol
- Monoisotopic mass
- 116.0585775
Overview
structure in first source
Names & identifiers
- Preferred name
- N1,N2-Dimethylethanediamide
- IUPAC
- N,N'-dimethyloxamide
- English name
- N,N'-Dimethyloxamide
- Molecular formula
- C4H8N2O2
- Molecular weight
- 116.12
Names & synonyms
N,N'-Dimethyloxamide615-35-0Ethanediamide, N,N'-dimethyl-573D5I9HQVN1,N2-DIMETHYLETHANEDIAMIDENSC-80645DTXSID80210468RefChem:821921DTXCID80132959210-420-8N,N'-dimethyloxalamideN1,N2-dimethyloxalamide
Show more names
N,N′CH3NHCOCONHCH3-DimethyloxamideN,N-DIMETHYLOXAMIDETIMTEC-BB SBB007883N,N'-Dimethyloxamide,98%N,N'-Dimethyloxamide 98%
NN'-DimethyloxamideN,N'-dimethylethanediamideCH3NHCOCONHCH34-Oxalic acid (N-methyl)amideNN'-DimethyloxalamideMFCD00025634N~1~,N~2~-DimethylethanediamideF2879-6565
Database identifiers
- CAS
615-35-0- PubChem CID
- 69204
- DTXSID
DTXSID80210468- UNII
- 573D5I9HQV
- EC Number
- 210-420-8
- Nikkaji
- J27.709F
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 96.6
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physicochemical properties
- Melting point
- 214 · 214-217 °C(lit.)
- Density
- 1.091 · 1.091±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Chloroform, Dichloromethane, Methanol
- form
- crystals
- pka
- 11.76 · 11.76±0.46(Predicted)
- BRN
- 1753961 · 1753961
- InChI
- InChI=1S/C4H8N2O2/c1-5-3(7)4(8)6-2/h1-2H3,(H,5,7)(H,6,8)
- InChIKey
- IPZCJUOJSODZNK-UHFFFAOYSA-N
- SMILES
- C(NC)(=O)C(NC)=O
- CAS DataBase Reference
- 615 · 615-35-0(CAS DataBase Reference)
- FDA UNII
- 573 D5I9HQV · 573D5I9HQV
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)
Aggregated GHS information provided per 39 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25-26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesN,N'-Dimethyloxamide is an amide compound, mainly used in the field of organic synthesis, can be used as the preparation of imidazole drug intermediates or other heterocyclic organic compounds.
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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