2-Methyl-1H-imidazole-1-ethanol

HCID 74169

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Basic information

CAS: 1615-15-2
Standard SMILES: Cc1nccn1CCO
InChIKey: JJWKKSUCSNDHNJ-UHFFFAOYSA-N
Molecular formula: C6H10N2O
Average molar mass: 126.16 g/mol
Monoisotopic mass: 126.07931294

Overview

leptospirocidal agent; RN given refers to parent cpd

Names & identifiers

Preferred name: 2-Methyl-1H-imidazole-1-ethanol
IUPAC: 2-(2-methylimidazol-1-yl)ethanol
English name: 1-(2-Hydroxyethyl)-2-methylimidazole
Molecular formula: C6H10N2O
Molecular weight: 126.16

Names & synonyms

1615-15-2Methimidol1H-Imidazole-1-ethanol, 2-methyl-2-Methyl-1H-imidazole-1-ethanolDTXSID5061821RefChem:811732methimidol monohydrochlorideDTXCID70351952-(2-Methyl-1H-imidazol-1-yl)ethanol1-(2-Hydroxyethyl)-2-methylimidazole2-(2-methylimidazol-1-yl)ethanol2-(2-methyl-1H-imidazol-1-yl)ethan-1-ol

Show more names

1-Hydroxy-2-methylimidazole2-methyl-1h-imidazole-1-ethanoImidazole-1-ethanol, 2-methyl-2-(2-methyl-1-imidazolyl)ethanol2-(2-methylimidazol-1-yl)ethan-1-ol1-(-Hydroxyethyl)-2-methyl imidazole

MFCD002099812-(2-methyl-imidazol-1-yl)-ethanolSCHEMBL440676SCHEMBL5981922SCHEMBL9570164ALBB-017810AKOS0095601301-(beta-hydroxyethyl)-2-methylimidazole

Database identifiers

CAS: 1615-15-2
PubChem CID: 74169
DTXSID: DTXSID5061821
EC Number: 803-205-0
Nikkaji: J68.947E

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 87.1

Physicochemical properties

Melting point: 63 · 63-65 °C(Solv: ethyl acetate (141-78-6))
Boiling point: 130 · 130-133 °C(Press: 0.15-0.25 Torr)
Density: 1.12 · 1.12±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 14.66 · 14.66±0.10(Predicted)
form: liquid
InChI: 1S/C6H10N2O/c1-6-7-2-3-8(6)4-5-9/h2-3,9H,4-5H2,1H3
InChIKey: WBRXPJXONZZELM-UHFFFAOYSA-N
SMILES: CC1=NC=CN1CCO
EPA Substance Registry System: 1 H-Imidazole-1-ethanol, · 1H-Imidazole-1-ethanol, 2-methyl- (1615-15-2)
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H318
Precautionary statements: 264 · P264-P270-P280-P301+P312-P305+P351+P338-P501
Hazard Codes: Xn
Risk Statements: 22 · 22-41
Safety Statements: 26 · 26-39
WGK Germany: 3 · 3
TSCA: TSCA listed
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.