N-(2-Hydroxyethyl)imidazole

HCID 74168

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Basic information

CAS: 1615-14-1
Standard SMILES: OCCn1ccnc1
InChIKey: AMSDWLOANMAILF-UHFFFAOYSA-N
Molecular formula: C5H8N2O
Average molar mass: 112.13 g/mol
Monoisotopic mass: 112.06366288

Names & identifiers

Preferred name: N-(2-Hydroxyethyl)imidazole
IUPAC: 2-imidazol-1-ylethanol
English name: 1-(2-Hydroxyethyl)imidazole
Molecular formula: C5H8N2O
Molecular weight: 112.13

Names & synonyms

1615-14-12-(1H-Imidazol-1-yl)ethanol1-(2-Hydroxyethyl)imidazole1H-Imidazole-1-ethanoln-(2-hydroxyethyl)imidazoleimidazole-1-ethanol2-(imidazol-1-yl)ethanolEINECS 216-565-39Y44AGE9801-(2-HYDROXYETHYL)-1H-IMIDAZOLEDTXSID30586162-(1'-IMIDAZOLYL)ETHANOL

Show more names

2-(1-IMIDAZOLYL)ETHANOL2-iMidazol-1-yl-ethanol1-HYDROXYETHYL IMIDAZOLEN-(2-HYDROXYETHYL)-IMIDAZOLE1-(2-Hydroxyethyl)iMidazole 97%1-(2-Hydroxyethyl)imidazole,95%

1-(.BETA.-HYDROXYETHYL)IMIDAZOLEN-(2-HYDROXYETHYL)-1H-IMIDAZOLERefChem:8254901-(beta-hydroxyethyl)imidazoleDTXCID1032301216-565-32-imidazol-1-ylethanol1-(Hydroxyethyl)imidazole

Database identifiers

CAS: 1615-14-1
PubChem CID: 74168
DTXSID: DTXSID3058616
ChEMBL: CHEMBL555293
UNII: 9Y44AGE980
EC Number: 216-565-3
Nikkaji: J195.238B

Properties

Computed structural properties

XLogP: -0.7
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 67.4

Physicochemical properties

Melting point: 36 · 36-40 °C (lit.)
Boiling point: 115 °C · 115 °C
Density: 1.1524 · 1.1524 (rough estimate)
refractive index: 1.518 · 1.518-1.52
Flash point: 110 °C · 110 °C
storage temp.: Sealed in dry,Room Temperature
form: solid
pka: 13.82 · 13.82±0.10(Predicted)
Appearance: 40 °C · White to light yellow 40°C Liquid
InChI: InChI=1S/C5H8N2O/c8-4-3-7-2-1-6-5-7/h1-2,5,8H,3-4H2
InChIKey: AMSDWLOANMAILF-UHFFFAOYSA-N
SMILES: C1N(CCO)C=CN=1
CAS DataBase Reference: 1615 · 1615-14-1(CAS DataBase Reference)
FDA UNII: 9 Y44AGE980 · 9Y44AGE980
UNSPSC Code: 12352005 · 12352005
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 26 · 26-36-36/37/39
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.