Butyrylethyleneimine
Basic information
- CAS
10431-86-4- Standard SMILES
CCCC(=O)N1CC1- InChIKey
UFWIDNCIQKQRIJ-UHFFFAOYSA-N- Molecular formula
- C6H11NO
- Average molar mass
- 113.16 g/mol
- Monoisotopic mass
- 113.08406397
Overview
structure
Names & identifiers
- Preferred name
- Butyrylethyleneimine
- IUPAC
- 1-(aziridin-1-yl)butan-1-one
- English name
- AZIRIDINE,1-N-BUTYRYL
- Molecular formula
- C6H11NO
- Molecular weight
- 113.16
Names & synonyms
Butyrylethyleneimine10431-86-4DTXSID10146382RefChem:122382DTXCID90688731-(aziridin-1-yl)butan-1-oneButyrylethylenimine1-n-ButyrylaziridineAziridine, 1-butyryl-Aziridine, 1-(1-oxobutyl)-AZIRIDINE, 1-n-BUTYRYLAZIRIDINE,1-N-BUTYRYL
Show more names
1-Butanone, 1-(1-aziridinyl)-
1-(1-Oxobutyl)aziridineNSC 80702BRN 13415711-butyrylaziridineWLN: T3NTJ AV35-20-01-00039 (Beilstein Handbook Reference)SCHEMBL6746711-Butanone,1-(1-aziridinyl)-
Database identifiers
- CAS
10431-86-4- PubChem CID
- 25274
- DTXSID
DTXSID10146382- EC Number
- 654-313-8
- Nikkaji
- J35.237C
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 20.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 96.7
Physicochemical properties
- Boiling point
- 211.9 °C · 211.9°C (rough estimate)
- Density
- 1.0223 · 1.0223 (rough estimate)
- refractive index
- 1.421 · 1.4210 (estimate)
- pka
- -2.36 · -2.36±0.20(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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