1-Aziridineethanol
Properties
- Molecular formula
- C4H9NO
- Molar mass
- 87.12 g/mol
- Exact mass
- 87.0684 Da
- Density
- 1.088 g/mL
- Boiling point
- 154–156 °C
- Water solubility
- miscible
- logP
- -0.71Crippen estimate
- Polar surface area
- 23.2 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin97.5% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P262, P264, P270, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P405, P501
Identifiers
CAS number
1072-52-2SMILES
OCCN1CC1InChIKey
VYONOYYDEFODAJ-UHFFFAOYSA-NInChI
InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- 1-(2-Hydroxyethyl)ethylenimine
- N-(2-Hydroxyethyl)aziridine
- N-(2-Hydroxyethyl)ethylenimine
- N-(β-Hydroxyethyl)aziridine
- 2-(Aziridin-1-yl)ethanol
- NSC 50209
- 1-(2-Hydroxylethyl)aziridine
- 2-(Aziridin-1-yl)ethan-1-ol
Work with 1-Aziridineethanol
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1,4-Piperazinediethanol122-96-3100 % similar
N,N,N′,N′-Tetrakis(2-hydroxyethyl)ethylenediamine140-07-8100 % similar
Triethanolamine102-71-692 % similar
1-Pyrrolidineethanol2955-88-673 % similar
Triethanolamine hydrochloride637-39-873 % similar
1-Piperidineethanol3040-44-669 % similar
Hexahydro-1,3,5-tris(2-hydroxyethyl)-s-triazine4719-04-467 % similar
4-Methyl-1-piperazineethanol5464-12-067 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.