Basic information
- CAS
13256-13-8- Standard SMILES
C=CN(CC)N=O- InChIKey
KAXILSKFDQXZPP-UHFFFAOYSA-N- Molecular formula
- C4H8N2O
- Average molar mass
- 100.12 g/mol
- Monoisotopic mass
- 100.06366288
Names & identifiers
- Preferred name
- N-Ethyl-N-nitrosoethenamine
- IUPAC
- N-ethenyl-N-ethylnitrous amide
- English name
- vinylethylnitrosamine
- Molecular formula
- C4H8N2O
- Molecular weight
- 100.12
Names & synonyms
Vinylethylnitrosamine13256-13-8N-Ethyl-N-nitrosovinylamineN-Ethyl-N-nitrosoethenamineN-Nitroso-N-ethylvinylamineEthenamine, N-ethyl-N-nitroso-Vinylamine, N-ethyl-N-nitroso-K5TH5XTS8UDTXSID90157618RefChem:194339DTXCID6080109N-ethenyl-N-ethylnitrous amide
Show more names
N-Ethyl-N-vinylnitrosamineN-Ethyl-N-vinylnitrosoamine
N-Ethenyl-N-ethylnitrosamineEthylvinylnitrosamineN-NitrosoethylvinylamineVinylethylnitrosaminVinylethylnitrosamin [German]CCRIS 303Aethyl-vinyl-nitrosoamin [German]Ethenylamine, N-ethyl-N-nitroso-
Database identifiers
- CAS
13256-13-8- PubChem CID
- 25807
- DTXSID
DTXSID90157618- ChEMBL
CHEMBL165390- UNII
- K5TH5XTS8U
- Nikkaji
- J3.769I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 72.1
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 187.56 °C · 187.56°C (rough estimate)
- Density
- 1.1275 · 1.1275 (rough estimate)
- refractive index
- 1.488 · 1.4880 (estimate)
- FDA UNII
- 5 TH5XTS8U · K5TH5XTS8U
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 88 mg/kg NATWAY 50,100,63
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 orl-rat: 88 mg/kg NATWAY 50,100,63
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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