Basic information
- CAS
3691-16-5- Standard SMILES
C=CC(O)CN1CC1- InChIKey
MJVIZWIQHKRBPI-UHFFFAOYSA-N- Molecular formula
- C6H11NO
- Average molar mass
- 113.16 g/mol
- Monoisotopic mass
- 113.08406397
Names & identifiers
- Preferred name
- Tetramin
- IUPAC
- 1-(aziridin-1-yl)but-3-en-2-ol
- English name
- Ethoxene
- Molecular formula
- C6H11NO
- Molecular weight
- 113.16
Names & synonyms
Tetramin3691-16-5RefChem:1099724AethoxenEthoxene1-(aziridin-1-yl)but-3-en-2-olTetramin (secondary isomer)1-Ethylenimino-2-hydroxybutene2-(1-Aziridinyl)-1-vinylethanol1-(2-Hydroxybut-1-enyl)aziridine1-Ethyleneimino-2-hydroxy-3-butene4-Aziridinyl-3-hydroxy-1,2-butene
Show more names
1-ethyleniminobut-3-en-2-olα-Ethenyl-1-aziridineethanol1-aziridin-1-ylbut-3-en-2-ol
IV 148NSC-26806.alpha.-Vinyl AEAziridine, 1-(2-hydroxybut-1-enyl)-.alpha.-Vinyl-1-aziridineethanolalpha-Vinyl AEalpha-Ethenyl-1-aziridineethanolalpha-Vinyl-1-aziridineethanol
Database identifiers
- CAS
3691-16-5- PubChem CID
- 19401
- DTXSID
DTXSID901377916- Nikkaji
- J54.471J
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 23.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 88.5
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
- 14.226 · 14.226±0.20(predicted)
Chemistry & industry
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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