4-(Ethylnitrosoamino)-4-methylpentan-2-one
Basic information
- CAS
5569-45-9- Standard SMILES
CCC(=O)C(C)CN(CC)N=O- InChIKey
JHVHAKCWFZMCRS-UHFFFAOYSA-N- Molecular formula
- C8H16N2O2
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.12117776
Names & identifiers
- Preferred name
- 4-(Ethylnitrosoamino)-4-methylpentan-2-one
- IUPAC
- N-ethyl-N-(2-methyl-3-oxopentyl)nitrous amide
- English name
- 2-Ethylamino-2-methyl-N-nitroso-
- Molecular formula
- C8H16N2O2
- Molecular weight
- 172.22484
Names & synonyms
EINECS 226-940-34-(Ethylnitrosoamino)-4-methylpentan-2-oneRefChem:516082226-940-35569-45-9N-ethyl-N-(2-methyl-3-oxopentyl)nitrous amideDTXSID009710492-Ethylamino-2-methyl-N-nitroso-4-(Ethylnitrosoamino)-4-methyl-2-pentanone2-ethylamino-2-methyl-N-nitroso-4-pentanone2-Pentanone, 4-(ethylnitrosoamino)-4-methyl-
Database identifiers
- CAS
5569-45-9- PubChem CID
- 110670
- DTXSID
DTXSID00971049- EC Number
- 226-940-3
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 118 °C · 118 °C(Press: 0.6 Torr)
- Density
- 0.0201 g/cm3 · 0.0201 g/cm3
- pka
- -3.63 · -3.63±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 373 · H373-H312-H332-H302
- Precautionary statements
- 260 · P260-P314-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- Hazard statements
- H373-H312-H332-H302
- Precautionary statements
- P260-P314-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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